4-(2,3-dimethoxyanilino)-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide

C24H29N7O3 — CID 175501362

IUPAC4-(2,3-dimethoxyanilino)-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide
SMILESCOc1cccc(Nc2cc(Nc3ccc(N4CCN(C)CC4)cn3)ncc2C(N)=O)c1OC
InChIInChI=1S/C24H29N7O3/c1-30-9-11-31(12-10-30)16-7-8-21(26-14-16)29-22-13-19(17(15-27-22)24(25)32)28-18-5-4-6-20(33-2)23(18)34-3/h4-8,13-15H,9-12H2,1-3H3,(H2,25,32)(H2,26,27,28,29)
InChIKeyZCZBOTGVDFQCBR-UHFFFAOYSA-N
MW463.54 g/mol
LogP2.83
Rot. Bonds8

About 4-(2,3-dimethoxyanilino)-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide

4-(2,3-dimethoxyanilino)-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide (PubChem CID 175501362) has the molecular formula C24H29N7O3 and a molecular weight of 463.54 g/mol. Its IUPAC name is 4-(2,3-dimethoxyanilino)-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(2,3-dimethoxyanilino)-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide
PubChem CID175501362
Molecular FormulaC24H29N7O3
Molecular Weight463.54 g/mol
Exact Mass463.23
IUPAC Name4-(2,3-dimethoxyanilino)-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide
SMILESCOc1cccc(Nc2cc(Nc3ccc(N4CCN(C)CC4)cn3)ncc2C(N)=O)c1OC
InChIInChI=1S/C24H29N7O3/c1-30-9-11-31(12-10-30)16-7-8-21(26-14-16)29-22-13-19(17(15-27-22)24(25)32)28-18-5-4-6-20(33-2)23(18)34-3/h4-8,13-15H,9-12H2,1-3H3,(H2,25,32)(H2,26,27,28,29)
InChIKeyZCZBOTGVDFQCBR-UHFFFAOYSA-N
XLogP2.83
TPSA117.87 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-(2,3-dimethoxyanilino)-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]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-[2-(cyclopropylmethoxy)anilino]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide
CID 175501403
4-(1-benzofuran-7-ylamino)-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide
CID 175501423
6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(2-propylanilino)pyridine-3-carboxamide
CID 175501407
4-[[3-(dimethylamino)pyrazin-2-yl]amino]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide
CID 175501424
6-[[5-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]amino]-4-(2-ethoxyanilino)pyridine-3-carboxamide
CID 175501345
4-(2-ethoxyanilino)-6-[[5-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]pyridine-3-carboxamide
CID 175501379
6-[[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]amino]-4-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 175501369
4-(benzylamino)-6-[4-(4-methyl-1,4-diazepan-1-yl)anilino]pyridine-3-carboxamide
CID 67422223
6-[[5-(azetidin-1-yl)-2-pyridinyl]amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide;methane
CID 163894422
4-(cyclopropylamino)-6-[[5-(4-ethylsulfonylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide
CID 118371240
4-[(5-fluoro-2-methoxyphenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 46218981
4-(2,3-dichloroanilino)-6-methoxy-7-(4-methylpiperazin-1-yl)quinoline-3-carboxamide
CID 44571149

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethoxyanilino)-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide?
The IUPAC name of 4-(2,3-dimethoxyanilino)-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide (CID 175501362) is 4-(2,3-dimethoxyanilino)-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 4-(2,3-dimethoxyanilino)-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 4-(2,3-dimethoxyanilino)-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide is COc1cccc(Nc2cc(Nc3ccc(N4CCN(C)CC4)cn3)ncc2C(N)=O)c1OC.
What is the InChIKey of 4-(2,3-dimethoxyanilino)-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide?
The InChIKey is ZCZBOTGVDFQCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O3/c1-30-9-11-31(12-10-30)16-7-8-21(26-14-16)29-22-13-19(17(15-27-22)24(25)32)28-18-5-4-6-20(33-2)23(18)34-3/h4-8,13-15H,9-12H2,1-3H3,(H2,25,32)(H2,26,27,28,29).
What are the key properties of 4-(2,3-dimethoxyanilino)-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide?
4-(2,3-dimethoxyanilino)-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide has a molecular weight of 463.54 g/mol, XLogP of 2.83, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethoxyanilino)-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 175501362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).