(2S)-N-(5-chloro-2-pyridinyl)-2-[3-(6-methoxy-3-pyridinyl)-5-methylpiperidin-1-yl]propanamide;(2S)-N-(5-chloro-2-pyridinyl)-2-[(3S,5S)-3-methyl-5-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide

C39H48Cl2N8O4 — CID 165033176

IUPAC(2S)-N-(5-chloro-2-pyridinyl)-2-[3-(6-methoxy-3-pyridinyl)-5-methylpiperidin-1-yl]propanamide;(2S)-N-(5-chloro-2-pyridinyl)-2-[(3S,5S)-3-methyl-5-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide
SMILESCOc1ccc(C2CC(C)CN([C@@H](C)C(=O)Nc3ccc(Cl)cn3)C2)cn1.C[C@H]1C[C@@H](c2ccc(=O)[nH]c2)CN([C@@H](C)C(=O)Nc2ccc(Cl)cn2)C1
InChIInChI=1S/C20H25ClN4O2.C19H23ClN4O2/c1-13-8-16(15-4-7-19(27-3)23-9-15)12-25(11-13)14(2)20(26)24-18-6-5-17(21)10-22-18;1-12-7-15(14-3-6-18(25)22-8-14)11-24(10-12)13(2)19(26)23-17-5-4-16(20)9-21-17/h4-7,9-10,13-14,16H,8,11-12H2,1-3H3,(H,22,24,26);3-6,8-9,12-13,15H,7,10-11H2,1-2H3,(H,22,25)(H,21,23,26)/t13?,14-,16?;12-,13-,15+/m00/s1
InChIKeyMZDOONVNJYEICB-HDVBMVRWSA-N
MW763.77 g/mol
LogP6.47
Rot. Bonds9

About (2S)-N-(5-chloro-2-pyridinyl)-2-[3-(6-methoxy-3-pyridinyl)-5-methylpiperidin-1-yl]propanamide;(2S)-N-(5-chloro-2-pyridinyl)-2-[(3S,5S)-3-methyl-5-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide

(2S)-N-(5-chloro-2-pyridinyl)-2-[3-(6-methoxy-3-pyridinyl)-5-methylpiperidin-1-yl]propanamide;(2S)-N-(5-chloro-2-pyridinyl)-2-[(3S,5S)-3-methyl-5-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide (PubChem CID 165033176) has the molecular formula C39H48Cl2N8O4 and a molecular weight of 763.77 g/mol. Its IUPAC name is (2S)-N-(5-chloro-2-pyridinyl)-2-[3-(6-methoxy-3-pyridinyl)-5-methylpiperidin-1-yl]propanamide;(2S)-N-(5-chloro-2-pyridinyl)-2-[(3S,5S)-3-methyl-5-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(5-chloro-2-pyridinyl)-2-[3-(6-methoxy-3-pyridinyl)-5-methylpiperidin-1-yl]propanamide;(2S)-N-(5-chloro-2-pyridinyl)-2-[(3S,5S)-3-methyl-5-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide
PubChem CID165033176
Molecular FormulaC39H48Cl2N8O4
Molecular Weight763.77 g/mol
Exact Mass762.32
IUPAC Name(2S)-N-(5-chloro-2-pyridinyl)-2-[3-(6-methoxy-3-pyridinyl)-5-methylpiperidin-1-yl]propanamide;(2S)-N-(5-chloro-2-pyridinyl)-2-[(3S,5S)-3-methyl-5-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide
SMILESCOc1ccc(C2CC(C)CN([C@@H](C)C(=O)Nc3ccc(Cl)cn3)C2)cn1.C[C@H]1C[C@@H](c2ccc(=O)[nH]c2)CN([C@@H](C)C(=O)Nc2ccc(Cl)cn2)C1
InChIInChI=1S/C20H25ClN4O2.C19H23ClN4O2/c1-13-8-16(15-4-7-19(27-3)23-9-15)12-25(11-13)14(2)20(26)24-18-6-5-17(21)10-22-18;1-12-7-15(14-3-6-18(25)22-8-14)11-24(10-12)13(2)19(26)23-17-5-4-16(20)9-21-17/h4-7,9-10,13-14,16H,8,11-12H2,1-3H3,(H,22,24,26);3-6,8-9,12-13,15H,7,10-11H2,1-2H3,(H,22,25)(H,21,23,26)/t13?,14-,16?;12-,13-,15+/m00/s1
InChIKeyMZDOONVNJYEICB-HDVBMVRWSA-N
XLogP6.47
TPSA145.44 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.77
LogP ≤ 56.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze (2S)-N-(5-chloro-2-pyridinyl)-2-[3-(6-methoxy-3-pyridinyl)-5-methylpiperidin-1-yl]propanamide;(2S)-N-(5-chloro-2-pyridinyl)-2-[(3S,5S)-3-methyl-5-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide with MolForge

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Launch Full Analysis

Related Compounds

1-(4-Chloro-2-isopropyl-3-pyridyl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoyl-piperazin-1-yl]-6-(2-fluorophenyl)-7-methoxy-pyrido[2,3-d]pyrimidin-2-one
CID 150117438
4-chloro-N-[1-[[6-(4-methylpiperidin-1-yl)pyridin-3-yl]methyl]piperidin-4-yl]-3-[6-(trifluoromethoxy)pyridin-3-yl]benzamide
CID 118155551
2-chloro-N-[1-[[6-(4-methylpiperidin-1-yl)pyridin-3-yl]methyl]piperidin-4-yl]-3-[6-(trifluoromethoxy)pyridin-3-yl]benzamide
CID 118155552
2-chloro-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]pyridin-3-yl]methyl]piperidin-4-yl]-3-[6-(trifluoromethoxy)pyridin-3-yl]benzamide
CID 118155594
4-chloro-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]pyridin-3-yl]methyl]piperidin-4-yl]-3-[6-(trifluoromethoxy)pyridin-3-yl]benzamide
CID 118155596
1-(4-Chloro-2-propan-2-yl-3-pyridinyl)-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-6-(2-fluorophenyl)-7-methoxypyrido[2,3-d]pyrimidin-2-one
CID 153292576
(7R)-16-chloro-15-(2-fluoro-6-methoxyphenyl)-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-5-prop-2-enoyl-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione
CID 156732229
(4R,7R)-16-chloro-15-(2-fluoro-6-methoxyphenyl)-4,9-dimethyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione
CID 156732299
N-[(2-chlorophenyl)methyl]-2-[3-(6-methoxy-3-pyridinyl)-6-oxopyridazin-1-yl]acetamide;2-[3-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide
CID 158307268
3-amino-N-[3-(4-amino-4-ethylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-chloro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-methoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4,4-dimethylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyrazine-2-carboxamide
CID 158947042
6-chloro-1-[4-(dimethylamino)-2-propan-2-yl-3-pyridinyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;N-[2-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenyl]-2,2,2-trifluoroacetamide;1-(4-chloro-2-propan-2-yl-3-pyridinyl)-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-6-(2-fluorophenyl)-7-methoxypyrido[2,3-d]pyrimidin-2-one
CID 159747743
6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-[2-(methylamino)phenyl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;N-[2-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenyl]-2,2,2-trifluoroacetamide;1-(4-chloro-2-propan-2-yl-3-pyridinyl)-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-6-(2-fluorophenyl)-7-methoxypyrido[2,3-d]pyrimidin-2-one
CID 160770535

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-chloro-2-pyridinyl)-2-[3-(6-methoxy-3-pyridinyl)-5-methylpiperidin-1-yl]propanamide;(2S)-N-(5-chloro-2-pyridinyl)-2-[(3S,5S)-3-methyl-5-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide?
The IUPAC name of (2S)-N-(5-chloro-2-pyridinyl)-2-[3-(6-methoxy-3-pyridinyl)-5-methylpiperidin-1-yl]propanamide;(2S)-N-(5-chloro-2-pyridinyl)-2-[(3S,5S)-3-methyl-5-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide (CID 165033176) is (2S)-N-(5-chloro-2-pyridinyl)-2-[3-(6-methoxy-3-pyridinyl)-5-methylpiperidin-1-yl]propanamide;(2S)-N-(5-chloro-2-pyridinyl)-2-[(3S,5S)-3-methyl-5-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(5-chloro-2-pyridinyl)-2-[3-(6-methoxy-3-pyridinyl)-5-methylpiperidin-1-yl]propanamide;(2S)-N-(5-chloro-2-pyridinyl)-2-[(3S,5S)-3-methyl-5-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(5-chloro-2-pyridinyl)-2-[3-(6-methoxy-3-pyridinyl)-5-methylpiperidin-1-yl]propanamide;(2S)-N-(5-chloro-2-pyridinyl)-2-[(3S,5S)-3-methyl-5-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide is COc1ccc(C2CC(C)CN([C@@H](C)C(=O)Nc3ccc(Cl)cn3)C2)cn1.C[C@H]1C[C@@H](c2ccc(=O)[nH]c2)CN([C@@H](C)C(=O)Nc2ccc(Cl)cn2)C1.
What is the InChIKey of (2S)-N-(5-chloro-2-pyridinyl)-2-[3-(6-methoxy-3-pyridinyl)-5-methylpiperidin-1-yl]propanamide;(2S)-N-(5-chloro-2-pyridinyl)-2-[(3S,5S)-3-methyl-5-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide?
The InChIKey is MZDOONVNJYEICB-HDVBMVRWSA-N. The full InChI is InChI=1S/C20H25ClN4O2.C19H23ClN4O2/c1-13-8-16(15-4-7-19(27-3)23-9-15)12-25(11-13)14(2)20(26)24-18-6-5-17(21)10-22-18;1-12-7-15(14-3-6-18(25)22-8-14)11-24(10-12)13(2)19(26)23-17-5-4-16(20)9-21-17/h4-7,9-10,13-14,16H,8,11-12H2,1-3H3,(H,22,24,26);3-6,8-9,12-13,15H,7,10-11H2,1-2H3,(H,22,25)(H,21,23,26)/t13?,14-,16?;12-,13-,15+/m00/s1.
What are the key properties of (2S)-N-(5-chloro-2-pyridinyl)-2-[3-(6-methoxy-3-pyridinyl)-5-methylpiperidin-1-yl]propanamide;(2S)-N-(5-chloro-2-pyridinyl)-2-[(3S,5S)-3-methyl-5-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide?
(2S)-N-(5-chloro-2-pyridinyl)-2-[3-(6-methoxy-3-pyridinyl)-5-methylpiperidin-1-yl]propanamide;(2S)-N-(5-chloro-2-pyridinyl)-2-[(3S,5S)-3-methyl-5-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide has a molecular weight of 763.77 g/mol, XLogP of 6.47, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-chloro-2-pyridinyl)-2-[3-(6-methoxy-3-pyridinyl)-5-methylpiperidin-1-yl]propanamide;(2S)-N-(5-chloro-2-pyridinyl)-2-[(3S,5S)-3-methyl-5-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 165033176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).