N-[5-[2-(cyclopentylamino)-4-pyridinyl]-4-(3-methylphenyl)-1,3-thiazol-2-yl]-6-methoxypyridine-3-carboxamide

C27H27N5O2S — CID 18446689

IUPACN-[5-[2-(cyclopentylamino)-4-pyridinyl]-4-(3-methylphenyl)-1,3-thiazol-2-yl]-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2nc(-c3cccc(C)c3)c(-c3ccnc(NC4CCCC4)c3)s2)cn1
InChIInChI=1S/C27H27N5O2S/c1-17-6-5-7-18(14-17)24-25(19-12-13-28-22(15-19)30-21-8-3-4-9-21)35-27(31-24)32-26(33)20-10-11-23(34-2)29-16-20/h5-7,10-16,21H,3-4,8-9H2,1-2H3,(H,28,30)(H,31,32,33)
InChIKeyDBCNEKOOENTEGC-UHFFFAOYSA-N
MW485.61 g/mol
LogP6.19
Rot. Bonds7

About N-[5-[2-(cyclopentylamino)-4-pyridinyl]-4-(3-methylphenyl)-1,3-thiazol-2-yl]-6-methoxypyridine-3-carboxamide

N-[5-[2-(cyclopentylamino)-4-pyridinyl]-4-(3-methylphenyl)-1,3-thiazol-2-yl]-6-methoxypyridine-3-carboxamide (PubChem CID 18446689) has the molecular formula C27H27N5O2S and a molecular weight of 485.61 g/mol. Its IUPAC name is N-[5-[2-(cyclopentylamino)-4-pyridinyl]-4-(3-methylphenyl)-1,3-thiazol-2-yl]-6-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(cyclopentylamino)-4-pyridinyl]-4-(3-methylphenyl)-1,3-thiazol-2-yl]-6-methoxypyridine-3-carboxamide
PubChem CID18446689
Molecular FormulaC27H27N5O2S
Molecular Weight485.61 g/mol
Exact Mass485.19
IUPAC NameN-[5-[2-(cyclopentylamino)-4-pyridinyl]-4-(3-methylphenyl)-1,3-thiazol-2-yl]-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2nc(-c3cccc(C)c3)c(-c3ccnc(NC4CCCC4)c3)s2)cn1
InChIInChI=1S/C27H27N5O2S/c1-17-6-5-7-18(14-17)24-25(19-12-13-28-22(15-19)30-21-8-3-4-9-21)35-27(31-24)32-26(33)20-10-11-23(34-2)29-16-20/h5-7,10-16,21H,3-4,8-9H2,1-2H3,(H,28,30)(H,31,32,33)
InChIKeyDBCNEKOOENTEGC-UHFFFAOYSA-N
XLogP6.19
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.61
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[5-[2-(cyclopentylamino)-4-pyridinyl]-4-(3-methylphenyl)-1,3-thiazol-2-yl]-6-methoxypyridine-3-carboxamide with MolForge

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Related Compounds

N-[[5-[2-(cyclohexylamino)-4-pyridinyl]-4-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide
CID 90686694
4-methoxy-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 1207301
6-methoxy-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]pyridine-3-carboxamide
CID 41489560
N-(1,3-benzothiazol-2-yl)-6-methoxypyridine-3-carboxamide
CID 17476486
6-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 17395023
N-[5-(2,6-dimethyl-4-pyridinyl)-4-(3-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 53432163
6-methoxy-N-pyridin-2-ylpyridine-3-carboxamide
CID 35035663
N-[5-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide
CID 999954
4-[(6-methoxypyridine-3-carbonyl)amino]pyridine-2-carboxylic acid
CID 63650775
N-[4-[4-(3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide
CID 10113346
N-[6-(cyclohexylamino)-3-pyridinyl]-3-methylbenzamide
CID 113010050
N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-6-methoxypyridine-3-carboxamide
CID 46975630

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(cyclopentylamino)-4-pyridinyl]-4-(3-methylphenyl)-1,3-thiazol-2-yl]-6-methoxypyridine-3-carboxamide?
The IUPAC name of N-[5-[2-(cyclopentylamino)-4-pyridinyl]-4-(3-methylphenyl)-1,3-thiazol-2-yl]-6-methoxypyridine-3-carboxamide (CID 18446689) is N-[5-[2-(cyclopentylamino)-4-pyridinyl]-4-(3-methylphenyl)-1,3-thiazol-2-yl]-6-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[5-[2-(cyclopentylamino)-4-pyridinyl]-4-(3-methylphenyl)-1,3-thiazol-2-yl]-6-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[5-[2-(cyclopentylamino)-4-pyridinyl]-4-(3-methylphenyl)-1,3-thiazol-2-yl]-6-methoxypyridine-3-carboxamide is COc1ccc(C(=O)Nc2nc(-c3cccc(C)c3)c(-c3ccnc(NC4CCCC4)c3)s2)cn1.
What is the InChIKey of N-[5-[2-(cyclopentylamino)-4-pyridinyl]-4-(3-methylphenyl)-1,3-thiazol-2-yl]-6-methoxypyridine-3-carboxamide?
The InChIKey is DBCNEKOOENTEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O2S/c1-17-6-5-7-18(14-17)24-25(19-12-13-28-22(15-19)30-21-8-3-4-9-21)35-27(31-24)32-26(33)20-10-11-23(34-2)29-16-20/h5-7,10-16,21H,3-4,8-9H2,1-2H3,(H,28,30)(H,31,32,33).
What are the key properties of N-[5-[2-(cyclopentylamino)-4-pyridinyl]-4-(3-methylphenyl)-1,3-thiazol-2-yl]-6-methoxypyridine-3-carboxamide?
N-[5-[2-(cyclopentylamino)-4-pyridinyl]-4-(3-methylphenyl)-1,3-thiazol-2-yl]-6-methoxypyridine-3-carboxamide has a molecular weight of 485.61 g/mol, XLogP of 6.19, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(cyclopentylamino)-4-pyridinyl]-4-(3-methylphenyl)-1,3-thiazol-2-yl]-6-methoxypyridine-3-carboxamide is sourced from PubChem (CID 18446689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).