3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)benzamide

C27H36N4O2 — CID 70874367

IUPAC3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
SMILESCc1cc(C)c(CNC(=O)c2cc(C3=CCNCC3)cc(N(C)C3CCCC3)c2C)c(=O)[nH]1
InChIInChI=1S/C27H36N4O2/c1-17-13-18(2)30-27(33)24(17)16-29-26(32)23-14-21(20-9-11-28-12-10-20)15-25(19(23)3)31(4)22-7-5-6-8-22/h9,13-15,22,28H,5-8,10-12,16H2,1-4H3,(H,29,32)(H,30,33)
InChIKeyYPBQJIPPGYCKMC-UHFFFAOYSA-N
MW448.61 g/mol
LogP3.99
Rot. Bonds6

About 3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)benzamide

3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)benzamide (PubChem CID 70874367) has the molecular formula C27H36N4O2 and a molecular weight of 448.61 g/mol. Its IUPAC name is 3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)benzamide.

Molecular Properties

Compound Name3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
PubChem CID70874367
Molecular FormulaC27H36N4O2
Molecular Weight448.61 g/mol
Exact Mass448.28
IUPAC Name3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
SMILESCc1cc(C)c(CNC(=O)c2cc(C3=CCNCC3)cc(N(C)C3CCCC3)c2C)c(=O)[nH]1
InChIInChI=1S/C27H36N4O2/c1-17-13-18(2)30-27(33)24(17)16-29-26(32)23-14-21(20-9-11-28-12-10-20)15-25(19(23)3)31(4)22-7-5-6-8-22/h9,13-15,22,28H,5-8,10-12,16H2,1-4H3,(H,29,32)(H,30,33)
InChIKeyYPBQJIPPGYCKMC-UHFFFAOYSA-N
XLogP3.99
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.61
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-[methyl(piperidin-4-yl)amino]-5-(1-methylpyrazol-4-yl)benzamide
CID 70872507
3-[cyclohexyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 70872406
5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-[methyl-(1-methylpiperidin-3-yl)amino]benzamide
CID 90151316
5-chloro-3-[cyclohexyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
CID 66576312
3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]benzamide
CID 163565417
5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-methylamino]-2-methylbenzamide
CID 66576544
3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[6-(morpholin-4-ylmethyl)piperidin-3-yl]benzamide
CID 89472846
3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(2-methylpyrimidin-5-yl)benzamide
CID 70872436
5-chloro-3-[cyclopentylmethyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
CID 90150984
3-[cyclopentyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide
CID 166958022
tert-butyl 4-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-(6-formyl-3-pyridinyl)-N,2-dimethylanilino]piperidine-1-carboxylate
CID 86684892
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-(4-methylphenyl)benzamide
CID 70872858

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)benzamide?
The IUPAC name of 3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)benzamide (CID 70874367) is 3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)benzamide.
What is the SMILES notation for 3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)benzamide?
The canonical SMILES for 3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)benzamide is Cc1cc(C)c(CNC(=O)c2cc(C3=CCNCC3)cc(N(C)C3CCCC3)c2C)c(=O)[nH]1.
What is the InChIKey of 3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)benzamide?
The InChIKey is YPBQJIPPGYCKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O2/c1-17-13-18(2)30-27(33)24(17)16-29-26(32)23-14-21(20-9-11-28-12-10-20)15-25(19(23)3)31(4)22-7-5-6-8-22/h9,13-15,22,28H,5-8,10-12,16H2,1-4H3,(H,29,32)(H,30,33).
What are the key properties of 3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)benzamide?
3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)benzamide has a molecular weight of 448.61 g/mol, XLogP of 3.99, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)benzamide is sourced from PubChem (CID 70874367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).