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

C27H35N5O2S — CID 162674525

IUPAC(3R,4R)-N-cyclohexyl-1-methyl-4-[[3-methyl-5-(4-methylthiophen-2-yl)-2-oxo-1H-1,7-naphthyridin-8-yl]amino]piperidine-3-carboxamide
SMILESCc1csc(-c2cnc(N[C@@H]3CCN(C)C[C@H]3C(=O)NC3CCCCC3)c3[nH]c(=O)c(C)cc23)c1
InChIInChI=1S/C27H35N5O2S/c1-16-11-23(35-15-16)20-13-28-25(24-19(20)12-17(2)26(33)31-24)30-22-9-10-32(3)14-21(22)27(34)29-18-7-5-4-6-8-18/h11-13,15,18,21-22H,4-10,14H2,1-3H3,(H,28,30)(H,29,34)(H,31,33)/t21-,22-/m1/s1
InChIKeyGMWJWQFNTNSPIV-FGZHOGPDSA-N
MW493.68 g/mol
LogP4.45
Rot. Bonds5

About (3R,4R)-N-cyclohexyl-1-methyl-4-[[3-methyl-5-(4-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-(4-methylthiophen-2-yl)-2-oxo-1H-1,7-naphthyridin-8-yl]amino]piperidine-3-carboxamide (PubChem CID 162674525) 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-(4-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-(4-methylthiophen-2-yl)-2-oxo-1H-1,7-naphthyridin-8-yl]amino]piperidine-3-carboxamide
PubChem CID162674525
Molecular FormulaC27H35N5O2S
Molecular Weight493.68 g/mol
Exact Mass493.25
IUPAC Name(3R,4R)-N-cyclohexyl-1-methyl-4-[[3-methyl-5-(4-methylthiophen-2-yl)-2-oxo-1H-1,7-naphthyridin-8-yl]amino]piperidine-3-carboxamide
SMILESCc1csc(-c2cnc(N[C@@H]3CCN(C)C[C@H]3C(=O)NC3CCCCC3)c3[nH]c(=O)c(C)cc23)c1
InChIInChI=1S/C27H35N5O2S/c1-16-11-23(35-15-16)20-13-28-25(24-19(20)12-17(2)26(33)31-24)30-22-9-10-32(3)14-21(22)27(34)29-18-7-5-4-6-8-18/h11-13,15,18,21-22H,4-10,14H2,1-3H3,(H,28,30)(H,29,34)(H,31,33)/t21-,22-/m1/s1
InChIKeyGMWJWQFNTNSPIV-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-(4-methylthiophen-2-yl)-2-oxo-1H-1,7-naphthyridin-8-yl]amino]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
4-(4-Methyl-3-oxo-3,4-dihydro-pyrido[2,3-b]pyrazin-2-ylamino)-N-thiophen-2-ylmethyl-benzamide
CID 11200159
8-(5-(2-amino-5-(thiophen-2-yl)phenylcarbamoyl)pyridin-2-yl)-N-ethyl-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 24744797
6-(1-acetyl-1,8-diazaspiro[4.5]decan-8-yl)-N-(2-amino-5-(thiophen-2-yl)phenyl)nicotinamide
CID 24745269
N-[4-[[2-amino-5-(4-methylthiophen-2-yl)-3-pyridinyl]iminomethyl]-2-pyridinyl]cyclopropanecarboxamide
CID 151422375
2-(2-methylpropyl)-1-oxo-N-pyridin-2-yl-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide
CID 22549205
N-(2-amino-5-(thiophen-2-yl)phenyl)-6-(2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)nicotinamide
CID 44589520
(3S,4S)-2-(2-methylpropyl)-1-oxo-N-pyridin-2-yl-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide
CID 92310735
8-[[(1S,2R,3R,5R)-2-[2-(1,1-dioxothian-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-methyl-5-(5-methyl-3-pyridinyl)-1H-1,7-naphthyridin-2-one
CID 145982835
N-[2-amino-5-(4-methylthiophen-2-yl)-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide
CID 155565596
(3R,4R)-N-cyclohexyl-4-[[5-(cyclopenten-1-yl)-3-methyl-2-oxo-1H-1,7-naphthyridin-8-yl]amino]piperidine-3-carboxamide
CID 162645194

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-N-cyclohexyl-1-methyl-4-[[3-methyl-5-(4-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-(4-methylthiophen-2-yl)-2-oxo-1H-1,7-naphthyridin-8-yl]amino]piperidine-3-carboxamide (CID 162674525) is (3R,4R)-N-cyclohexyl-1-methyl-4-[[3-methyl-5-(4-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-(4-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-(4-methylthiophen-2-yl)-2-oxo-1H-1,7-naphthyridin-8-yl]amino]piperidine-3-carboxamide is Cc1csc(-c2cnc(N[C@@H]3CCN(C)C[C@H]3C(=O)NC3CCCCC3)c3[nH]c(=O)c(C)cc23)c1.
What is the InChIKey of (3R,4R)-N-cyclohexyl-1-methyl-4-[[3-methyl-5-(4-methylthiophen-2-yl)-2-oxo-1H-1,7-naphthyridin-8-yl]amino]piperidine-3-carboxamide?
The InChIKey is GMWJWQFNTNSPIV-FGZHOGPDSA-N. The full InChI is InChI=1S/C27H35N5O2S/c1-16-11-23(35-15-16)20-13-28-25(24-19(20)12-17(2)26(33)31-24)30-22-9-10-32(3)14-21(22)27(34)29-18-7-5-4-6-8-18/h11-13,15,18,21-22H,4-10,14H2,1-3H3,(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-(4-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-(4-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-(4-methylthiophen-2-yl)-2-oxo-1H-1,7-naphthyridin-8-yl]amino]piperidine-3-carboxamide is sourced from PubChem (CID 162674525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).