(3R,4R)-N-cyclohexyl-1-methyl-4-[[3-methyl-5-(5-methylthiophen-2-yl)-2-oxo-1H-1,7-naphthyridin-8-yl]amino]piperidine-3-carboxamide

C27H35N5O2S — CID 162675285

IUPAC(3R,4R)-N-cyclohexyl-1-methyl-4-[[3-methyl-5-(5-methylthiophen-2-yl)-2-oxo-1H-1,7-naphthyridin-8-yl]amino]piperidine-3-carboxamide
SMILESCc1ccc(-c2cnc(N[C@@H]3CCN(C)C[C@H]3C(=O)NC3CCCCC3)c3[nH]c(=O)c(C)cc23)s1
InChIInChI=1S/C27H35N5O2S/c1-16-13-19-20(23-10-9-17(2)35-23)14-28-25(24(19)31-26(16)33)30-22-11-12-32(3)15-21(22)27(34)29-18-7-5-4-6-8-18/h9-10,13-14,18,21-22H,4-8,11-12,15H2,1-3H3,(H,28,30)(H,29,34)(H,31,33)/t21-,22-/m1/s1
InChIKeyOZGWWNMMCOWJJN-FGZHOGPDSA-N
MW493.68 g/mol
LogP4.45
Rot. Bonds5

About (3R,4R)-N-cyclohexyl-1-methyl-4-[[3-methyl-5-(5-methylthiophen-2-yl)-2-oxo-1H-1,7-naphthyridin-8-yl]amino]piperidine-3-carboxamide

(3R,4R)-N-cyclohexyl-1-methyl-4-[[3-methyl-5-(5-methylthiophen-2-yl)-2-oxo-1H-1,7-naphthyridin-8-yl]amino]piperidine-3-carboxamide (PubChem CID 162675285) has the molecular formula C27H35N5O2S and a molecular weight of 493.68 g/mol. Its IUPAC name is (3R,4R)-N-cyclohexyl-1-methyl-4-[[3-methyl-5-(5-methylthiophen-2-yl)-2-oxo-1H-1,7-naphthyridin-8-yl]amino]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-N-cyclohexyl-1-methyl-4-[[3-methyl-5-(5-methylthiophen-2-yl)-2-oxo-1H-1,7-naphthyridin-8-yl]amino]piperidine-3-carboxamide
PubChem CID162675285
Molecular FormulaC27H35N5O2S
Molecular Weight493.68 g/mol
Exact Mass493.25
IUPAC Name(3R,4R)-N-cyclohexyl-1-methyl-4-[[3-methyl-5-(5-methylthiophen-2-yl)-2-oxo-1H-1,7-naphthyridin-8-yl]amino]piperidine-3-carboxamide
SMILESCc1ccc(-c2cnc(N[C@@H]3CCN(C)C[C@H]3C(=O)NC3CCCCC3)c3[nH]c(=O)c(C)cc23)s1
InChIInChI=1S/C27H35N5O2S/c1-16-13-19-20(23-10-9-17(2)35-23)14-28-25(24(19)31-26(16)33)30-22-11-12-32(3)15-21(22)27(34)29-18-7-5-4-6-8-18/h9-10,13-14,18,21-22H,4-8,11-12,15H2,1-3H3,(H,28,30)(H,29,34)(H,31,33)/t21-,22-/m1/s1
InChIKeyOZGWWNMMCOWJJN-FGZHOGPDSA-N
XLogP4.45
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.68
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (3R,4R)-N-cyclohexyl-1-methyl-4-[[3-methyl-5-(5-methylthiophen-2-yl)-2-oxo-1H-1,7-naphthyridin-8-yl]amino]piperidine-3-carboxamide with MolForge

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Related Compounds

Chk1-IN-2
CID 11951901
(S)-2-(4-(dimethylcarbamoyl)phenyl)-4-(piperidin-3-ylamino)thieno[3,2-c]pyridine-7-carboxamide
CID 50925626
1-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)-2-oxo-6-thiophen-2-yl-1,8-naphthyridine-3-carboxamide
CID 118719603
N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-6-thiophen-2-yl-1,8-naphthyridine-3-carboxamide
CID 118719606
(E)-N-methyl-N-[(3-methyl-1-benzothiophen-2-yl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide
CID 9908485
4-(4-Methyl-3-oxo-3,4-dihydro-pyrido[2,3-b]pyrazin-2-ylamino)-N-thiophen-2-ylmethyl-benzamide
CID 11200159
4-[methyl-[(3S)-piperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide
CID 11951728
4-[ethyl-[(3S)-piperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide
CID 11952439
(E)-N-[(5-fluoro-3-methyl-1-benzothiophen-2-yl)methyl]-N-methyl-3-(4-oxo-1,2,3,5-tetrahydropyrido[2,3-b][1,4]diazepin-8-yl)prop-2-enamide
CID 23658016
8-(5-(2-amino-5-(thiophen-2-yl)phenylcarbamoyl)pyridin-2-yl)-N-ethyl-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 24744797
(E)-N-methyl-N-[(3-methyl-1-benzothiophen-2-yl)methyl]-3-(2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepin-8-yl)prop-2-enamide
CID 45487676
N-(2-fluorophenyl)-4-[5-[(3-methyl-1-benzothiophene-2-carbonyl)amino]-2-pyridinyl]piperazine-1-carboxamide
CID 52917420

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-N-cyclohexyl-1-methyl-4-[[3-methyl-5-(5-methylthiophen-2-yl)-2-oxo-1H-1,7-naphthyridin-8-yl]amino]piperidine-3-carboxamide?
The IUPAC name of (3R,4R)-N-cyclohexyl-1-methyl-4-[[3-methyl-5-(5-methylthiophen-2-yl)-2-oxo-1H-1,7-naphthyridin-8-yl]amino]piperidine-3-carboxamide (CID 162675285) is (3R,4R)-N-cyclohexyl-1-methyl-4-[[3-methyl-5-(5-methylthiophen-2-yl)-2-oxo-1H-1,7-naphthyridin-8-yl]amino]piperidine-3-carboxamide.
What is the SMILES notation for (3R,4R)-N-cyclohexyl-1-methyl-4-[[3-methyl-5-(5-methylthiophen-2-yl)-2-oxo-1H-1,7-naphthyridin-8-yl]amino]piperidine-3-carboxamide?
The canonical SMILES for (3R,4R)-N-cyclohexyl-1-methyl-4-[[3-methyl-5-(5-methylthiophen-2-yl)-2-oxo-1H-1,7-naphthyridin-8-yl]amino]piperidine-3-carboxamide is Cc1ccc(-c2cnc(N[C@@H]3CCN(C)C[C@H]3C(=O)NC3CCCCC3)c3[nH]c(=O)c(C)cc23)s1.
What is the InChIKey of (3R,4R)-N-cyclohexyl-1-methyl-4-[[3-methyl-5-(5-methylthiophen-2-yl)-2-oxo-1H-1,7-naphthyridin-8-yl]amino]piperidine-3-carboxamide?
The InChIKey is OZGWWNMMCOWJJN-FGZHOGPDSA-N. The full InChI is InChI=1S/C27H35N5O2S/c1-16-13-19-20(23-10-9-17(2)35-23)14-28-25(24(19)31-26(16)33)30-22-11-12-32(3)15-21(22)27(34)29-18-7-5-4-6-8-18/h9-10,13-14,18,21-22H,4-8,11-12,15H2,1-3H3,(H,28,30)(H,29,34)(H,31,33)/t21-,22-/m1/s1.
What are the key properties of (3R,4R)-N-cyclohexyl-1-methyl-4-[[3-methyl-5-(5-methylthiophen-2-yl)-2-oxo-1H-1,7-naphthyridin-8-yl]amino]piperidine-3-carboxamide?
(3R,4R)-N-cyclohexyl-1-methyl-4-[[3-methyl-5-(5-methylthiophen-2-yl)-2-oxo-1H-1,7-naphthyridin-8-yl]amino]piperidine-3-carboxamide has a molecular weight of 493.68 g/mol, XLogP of 4.45, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-N-cyclohexyl-1-methyl-4-[[3-methyl-5-(5-methylthiophen-2-yl)-2-oxo-1H-1,7-naphthyridin-8-yl]amino]piperidine-3-carboxamide is sourced from PubChem (CID 162675285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).