4-[(6-chloro-4-methyl-3-pyridinyl)amino]-2-oxo-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1H-pyridine-3-carboxamide

C25H29ClN6O2 — CID 171622694

IUPAC4-[(6-chloro-4-methyl-3-pyridinyl)amino]-2-oxo-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1H-pyridine-3-carboxamide
SMILESCc1cc(Cl)ncc1Nc1cc[nH]c(=O)c1C(=O)Nc1ccc(N2CCN(C(C)C)CC2)cc1
InChIInChI=1S/C25H29ClN6O2/c1-16(2)31-10-12-32(13-11-31)19-6-4-18(5-7-19)29-25(34)23-20(8-9-27-24(23)33)30-21-15-28-22(26)14-17(21)3/h4-9,14-16H,10-13H2,1-3H3,(H,29,34)(H2,27,30,33)
InChIKeyJSNJIQFWBZXNNA-UHFFFAOYSA-N
MW481.00 g/mol
LogP4.26
Rot. Bonds6

About 4-[(6-chloro-4-methyl-3-pyridinyl)amino]-2-oxo-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1H-pyridine-3-carboxamide

4-[(6-chloro-4-methyl-3-pyridinyl)amino]-2-oxo-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1H-pyridine-3-carboxamide (PubChem CID 171622694) has the molecular formula C25H29ClN6O2 and a molecular weight of 481.00 g/mol. Its IUPAC name is 4-[(6-chloro-4-methyl-3-pyridinyl)amino]-2-oxo-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[(6-chloro-4-methyl-3-pyridinyl)amino]-2-oxo-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1H-pyridine-3-carboxamide
PubChem CID171622694
Molecular FormulaC25H29ClN6O2
Molecular Weight481.00 g/mol
Exact Mass480.20
IUPAC Name4-[(6-chloro-4-methyl-3-pyridinyl)amino]-2-oxo-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1H-pyridine-3-carboxamide
SMILESCc1cc(Cl)ncc1Nc1cc[nH]c(=O)c1C(=O)Nc1ccc(N2CCN(C(C)C)CC2)cc1
InChIInChI=1S/C25H29ClN6O2/c1-16(2)31-10-12-32(13-11-31)19-6-4-18(5-7-19)29-25(34)23-20(8-9-27-24(23)33)30-21-15-28-22(26)14-17(21)3/h4-9,14-16H,10-13H2,1-3H3,(H,29,34)(H2,27,30,33)
InChIKeyJSNJIQFWBZXNNA-UHFFFAOYSA-N
XLogP4.26
TPSA93.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.00
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-[(6-chloro-4-methyl-3-pyridinyl)amino]-2-oxo-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1H-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

4-[[(1E,3Z)-1,4-diamino-2-methylbuta-1,3-dienyl]amino]-2-oxo-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1H-pyridine-3-carboxamide
CID 171622552
N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-oxo-4-(1H-pyrrolo[2,3-c]pyridin-4-ylamino)-1H-pyridine-3-carboxamide
CID 171622546
4-[(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)amino]-2-oxo-N-(4-piperazin-1-ylphenyl)-1H-pyridine-3-carboxamide
CID 171622145
N,N-dimethyl-4-[4-[[4-[(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)amino]-2-oxo-1H-pyridine-3-carbonyl]amino]phenyl]piperazine-1-carboxamide
CID 171622333
4-[(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)amino]-N-[4-[3-methyl-4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-oxo-1H-pyridine-3-carboxamide
CID 177267381
4-[(4,8-dimethyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1H-pyridine-3-carboxamide
CID 171622754
4-[[4-(2-hydroxypropyl)-3-pyridinyl]amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1H-pyridine-3-carboxamide
CID 171622491
N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-4-[(4-methylpyridazin-3-yl)amino]-2-oxo-1H-pyridine-3-carboxamide
CID 171622534
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-4-[(1-oxo-2H-isoquinolin-6-yl)amino]-1H-pyridine-3-carboxamide
CID 171622477
N-[4-[4-[2-(methoxymethyl)-4-pyridinyl]piperazin-1-yl]phenyl]-4-[(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)amino]-2-oxo-1H-pyridine-3-carboxamide
CID 171622165
4-[(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)amino]-N-[4-[4-(1-methylimidazol-2-yl)piperazin-1-yl]phenyl]-2-oxo-1H-pyridine-3-carboxamide
CID 171622252
N-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]phenyl]-4-[(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)amino]-2-oxo-1H-pyridine-3-carboxamide
CID 171622363

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-4-methyl-3-pyridinyl)amino]-2-oxo-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 4-[(6-chloro-4-methyl-3-pyridinyl)amino]-2-oxo-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1H-pyridine-3-carboxamide (CID 171622694) is 4-[(6-chloro-4-methyl-3-pyridinyl)amino]-2-oxo-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 4-[(6-chloro-4-methyl-3-pyridinyl)amino]-2-oxo-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 4-[(6-chloro-4-methyl-3-pyridinyl)amino]-2-oxo-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1H-pyridine-3-carboxamide is Cc1cc(Cl)ncc1Nc1cc[nH]c(=O)c1C(=O)Nc1ccc(N2CCN(C(C)C)CC2)cc1.
What is the InChIKey of 4-[(6-chloro-4-methyl-3-pyridinyl)amino]-2-oxo-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1H-pyridine-3-carboxamide?
The InChIKey is JSNJIQFWBZXNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN6O2/c1-16(2)31-10-12-32(13-11-31)19-6-4-18(5-7-19)29-25(34)23-20(8-9-27-24(23)33)30-21-15-28-22(26)14-17(21)3/h4-9,14-16H,10-13H2,1-3H3,(H,29,34)(H2,27,30,33).
What are the key properties of 4-[(6-chloro-4-methyl-3-pyridinyl)amino]-2-oxo-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1H-pyridine-3-carboxamide?
4-[(6-chloro-4-methyl-3-pyridinyl)amino]-2-oxo-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1H-pyridine-3-carboxamide has a molecular weight of 481.00 g/mol, XLogP of 4.26, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-4-methyl-3-pyridinyl)amino]-2-oxo-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 171622694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).