5-[6-[(2R)-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]pyrrolidin-2-yl]-3-pyridinyl]-N-methylpyridine-2-carboxamide

C25H33N5O2 — CID 92617030

IUPAC5-[6-[(2R)-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]pyrrolidin-2-yl]-3-pyridinyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc([C@H]3CCCN3CC(=O)N(C)C3CCCCC3)nc2)cn1
InChIInChI=1S/C25H33N5O2/c1-26-25(32)22-13-11-19(16-28-22)18-10-12-21(27-15-18)23-9-6-14-30(23)17-24(31)29(2)20-7-4-3-5-8-20/h10-13,15-16,20,23H,3-9,14,17H2,1-2H3,(H,26,32)/t23-/m1/s1
InChIKeyAWODCFKFRWDPLV-HSZRJFAPSA-N
MW435.57 g/mol
LogP3.43
Rot. Bonds6

About 5-[6-[(2R)-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]pyrrolidin-2-yl]-3-pyridinyl]-N-methylpyridine-2-carboxamide

5-[6-[(2R)-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]pyrrolidin-2-yl]-3-pyridinyl]-N-methylpyridine-2-carboxamide (PubChem CID 92617030) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 5-[6-[(2R)-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]pyrrolidin-2-yl]-3-pyridinyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[6-[(2R)-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]pyrrolidin-2-yl]-3-pyridinyl]-N-methylpyridine-2-carboxamide
PubChem CID92617030
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC Name5-[6-[(2R)-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]pyrrolidin-2-yl]-3-pyridinyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc([C@H]3CCCN3CC(=O)N(C)C3CCCCC3)nc2)cn1
InChIInChI=1S/C25H33N5O2/c1-26-25(32)22-13-11-19(16-28-22)18-10-12-21(27-15-18)23-9-6-14-30(23)17-24(31)29(2)20-7-4-3-5-8-20/h10-13,15-16,20,23H,3-9,14,17H2,1-2H3,(H,26,32)/t23-/m1/s1
InChIKeyAWODCFKFRWDPLV-HSZRJFAPSA-N
XLogP3.43
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-5-[6-(1-pyrazin-2-ylpyrrolidin-2-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 110268509
N-cyclohexyl-N-methyl-2-[(2S)-2-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]acetamide
CID 95836194
5-[2-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-N-methylpyridine-2-carboxamide
CID 92616860
N,N-dimethyl-2-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]acetamide
CID 95817458
4-tert-butyl-N-[4-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]pyrrolidin-2-yl]-1,3-thiazol-2-yl]benzamide
CID 132773648
N-cyclohexyl-2-[3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-methylacetamide
CID 110093298
N-cyclohexyl-2-[2-(4-fluorophenyl)azetidin-1-yl]-N-methylacetamide
CID 91837284
6-[(2R)-1-(2-hydroxyethyl)pyrrolidin-2-yl]-N-methylpyridine-2-carboxamide
CID 124980249
N-methyl-5-[6-[1-[3-[(2R)-5-oxopyrrolidin-2-yl]propanoyl]piperidin-4-yl]-3-pyridinyl]pyridine-2-carboxamide
CID 95834079
2-[2-(5-benzyl-2-pyridinyl)morpholin-4-yl]-N-cyclohexyl-N-methylacetamide
CID 127250136
N,N-dimethyl-2-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]acetamide
CID 95841666
5-[6-[4-(4,6-dimethylpyrimidin-2-yl)morpholin-2-yl]-3-pyridinyl]-N-methylpyridine-2-carboxamide
CID 127250654

Frequently Asked Questions

What is the IUPAC name of 5-[6-[(2R)-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]pyrrolidin-2-yl]-3-pyridinyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[6-[(2R)-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]pyrrolidin-2-yl]-3-pyridinyl]-N-methylpyridine-2-carboxamide (CID 92617030) is 5-[6-[(2R)-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]pyrrolidin-2-yl]-3-pyridinyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[6-[(2R)-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]pyrrolidin-2-yl]-3-pyridinyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[6-[(2R)-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]pyrrolidin-2-yl]-3-pyridinyl]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(-c2ccc([C@H]3CCCN3CC(=O)N(C)C3CCCCC3)nc2)cn1.
What is the InChIKey of 5-[6-[(2R)-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]pyrrolidin-2-yl]-3-pyridinyl]-N-methylpyridine-2-carboxamide?
The InChIKey is AWODCFKFRWDPLV-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-26-25(32)22-13-11-19(16-28-22)18-10-12-21(27-15-18)23-9-6-14-30(23)17-24(31)29(2)20-7-4-3-5-8-20/h10-13,15-16,20,23H,3-9,14,17H2,1-2H3,(H,26,32)/t23-/m1/s1.
What are the key properties of 5-[6-[(2R)-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]pyrrolidin-2-yl]-3-pyridinyl]-N-methylpyridine-2-carboxamide?
5-[6-[(2R)-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]pyrrolidin-2-yl]-3-pyridinyl]-N-methylpyridine-2-carboxamide has a molecular weight of 435.57 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(2R)-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]pyrrolidin-2-yl]-3-pyridinyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 92617030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).