2-[5-[4-(5-cyano-2-pyridinyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide

C28H30N6O2 — CID 175864278

IUPAC2-[5-[4-(5-cyano-2-pyridinyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCC(c3ccc(C#N)cn3)CC2)cc1-c1nc(NC(C)C)ccc1C(N)=O
InChIInChI=1S/C28H30N6O2/c1-17(2)32-25-9-7-22(27(30)35)26(33-25)23-14-21(6-4-18(23)3)28(36)34-12-10-20(11-13-34)24-8-5-19(15-29)16-31-24/h4-9,14,16-17,20H,10-13H2,1-3H3,(H2,30,35)(H,32,33)
InChIKeyGGDAOCHKHYHJFF-UHFFFAOYSA-N
MW482.59 g/mol
LogP4.26
Rot. Bonds6

About 2-[5-[4-(5-cyano-2-pyridinyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide

2-[5-[4-(5-cyano-2-pyridinyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 175864278) has the molecular formula C28H30N6O2 and a molecular weight of 482.59 g/mol. Its IUPAC name is 2-[5-[4-(5-cyano-2-pyridinyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[5-[4-(5-cyano-2-pyridinyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
PubChem CID175864278
Molecular FormulaC28H30N6O2
Molecular Weight482.59 g/mol
Exact Mass482.24
IUPAC Name2-[5-[4-(5-cyano-2-pyridinyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCC(c3ccc(C#N)cn3)CC2)cc1-c1nc(NC(C)C)ccc1C(N)=O
InChIInChI=1S/C28H30N6O2/c1-17(2)32-25-9-7-22(27(30)35)26(33-25)23-14-21(6-4-18(23)3)28(36)34-12-10-20(11-13-34)24-8-5-19(15-29)16-31-24/h4-9,14,16-17,20H,10-13H2,1-3H3,(H2,30,35)(H,32,33)
InChIKeyGGDAOCHKHYHJFF-UHFFFAOYSA-N
XLogP4.26
TPSA125.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.59
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[5-[4-(5-cyano-2-pyridinyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-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

N-(4-(1-Cyanocyclopentyl)phenyl)-2-((4-pyridinylmethyl)amino)-3-pyridinecarboxamide
CID 11315474
BPKDi
CID 46901383
2-Ethyl-9-methyl-10-oxo-13-[2-(pyridin-4-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carbonitrile
CID 470747
n-Isopropyl-1-[3-(3-acetylphenyl)phenyl]-1,4-dihydro[1,8]naphthyridin-4-one-3-carboxamide
CID 9932192
1-(4''-Acetyl-biphenyl-3-yl)-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid isopropylamide
CID 10113183
4-[[1-(4-Cyanophenyl)piperidin-4-yl]amino]-6-[(2-methylpyrimidin-4-yl)amino]pyridine-3-carboxamide
CID 46209051
4-(2-Cyclohexylaminopyridin-4-yl)-6-(piperazin-1-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 46901212
2''-Phenylamino-6-piperazin-1-yl[2,4'']bipyridinyl-4-carboxylic Acid Methyl Amide
CID 46901384
2-Piperazin-1-yl-6-[2-(propan-2-ylamino)-4-pyridinyl]pyridine-4-carboxamide
CID 46901542
3,4-dimethyl-N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]benzamide
CID 56835137
N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]naphthalene-2-carboxamide
CID 56835139
3,4-dimethyl-N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]benzamide
CID 57400386

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(5-cyano-2-pyridinyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of 2-[5-[4-(5-cyano-2-pyridinyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide (CID 175864278) is 2-[5-[4-(5-cyano-2-pyridinyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 2-[5-[4-(5-cyano-2-pyridinyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 2-[5-[4-(5-cyano-2-pyridinyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide is Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cn3)CC2)cc1-c1nc(NC(C)C)ccc1C(N)=O.
What is the InChIKey of 2-[5-[4-(5-cyano-2-pyridinyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide?
The InChIKey is GGDAOCHKHYHJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O2/c1-17(2)32-25-9-7-22(27(30)35)26(33-25)23-14-21(6-4-18(23)3)28(36)34-12-10-20(11-13-34)24-8-5-19(15-29)16-31-24/h4-9,14,16-17,20H,10-13H2,1-3H3,(H2,30,35)(H,32,33).
What are the key properties of 2-[5-[4-(5-cyano-2-pyridinyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide?
2-[5-[4-(5-cyano-2-pyridinyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 482.59 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(5-cyano-2-pyridinyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 175864278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).