6-[(2-methoxyphenyl)carbamoylamino]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide

C23H25N7O3 — CID 25176017

IUPAC6-[(2-methoxyphenyl)carbamoylamino]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide
SMILESCOc1ccccc1NC(=O)Nc1cccc(C(=O)Nc2cnccc2N2CCNCC2)n1
InChIInChI=1S/C23H25N7O3/c1-33-20-7-3-2-5-16(20)28-23(32)29-21-8-4-6-17(26-21)22(31)27-18-15-25-10-9-19(18)30-13-11-24-12-14-30/h2-10,15,24H,11-14H2,1H3,(H,27,31)(H2,26,28,29,32)
InChIKeyHYBSBPYEORGMCJ-UHFFFAOYSA-N
MW447.50 g/mol
LogP2.79
Rot. Bonds6

About 6-[(2-methoxyphenyl)carbamoylamino]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide

6-[(2-methoxyphenyl)carbamoylamino]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide (PubChem CID 25176017) has the molecular formula C23H25N7O3 and a molecular weight of 447.50 g/mol. Its IUPAC name is 6-[(2-methoxyphenyl)carbamoylamino]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(2-methoxyphenyl)carbamoylamino]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide
PubChem CID25176017
Molecular FormulaC23H25N7O3
Molecular Weight447.50 g/mol
Exact Mass447.20
IUPAC Name6-[(2-methoxyphenyl)carbamoylamino]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide
SMILESCOc1ccccc1NC(=O)Nc1cccc(C(=O)Nc2cnccc2N2CCNCC2)n1
InChIInChI=1S/C23H25N7O3/c1-33-20-7-3-2-5-16(20)28-23(32)29-21-8-4-6-17(26-21)22(31)27-18-15-25-10-9-19(18)30-13-11-24-12-14-30/h2-10,15,24H,11-14H2,1H3,(H,27,31)(H2,26,28,29,32)
InChIKeyHYBSBPYEORGMCJ-UHFFFAOYSA-N
XLogP2.79
TPSA120.51 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 52.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 6-[(2-methoxyphenyl)carbamoylamino]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-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-(2,5-dimethoxyphenyl)-3-[6-[1-[(4-piperazin-1-yl-3-pyridinyl)amino]ethenyl]-2-pyridinyl]urea
CID 89210298
N-(4-piperazin-1-yl-3-pyridinyl)-6-pyridin-4-ylpyridine-2-carboxamide
CID 25176181
6-(6,7-dimethoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide
CID 25174567
2-[(2-fluorophenyl)carbamoylamino]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
CID 59569228
6-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide
CID 25174250
2-chloro-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
CID 143750716
N-(4-piperazin-1-yl-3-pyridinyl)-6-thiophen-2-ylpyridine-2-carboxamide
CID 25176508
2-(6-methoxy-3-pyridinyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
CID 59569279
2-[5-methoxy-6-(2-methoxyethoxy)-1,3-dihydroisoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
CID 59569232
6-(3-aminophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(4-aminophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide
CID 143750721
2-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
CID 59569340
6-(ethylamino)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 62239408

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methoxyphenyl)carbamoylamino]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide?
The IUPAC name of 6-[(2-methoxyphenyl)carbamoylamino]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide (CID 25176017) is 6-[(2-methoxyphenyl)carbamoylamino]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[(2-methoxyphenyl)carbamoylamino]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide?
The canonical SMILES for 6-[(2-methoxyphenyl)carbamoylamino]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide is COc1ccccc1NC(=O)Nc1cccc(C(=O)Nc2cnccc2N2CCNCC2)n1.
What is the InChIKey of 6-[(2-methoxyphenyl)carbamoylamino]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide?
The InChIKey is HYBSBPYEORGMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O3/c1-33-20-7-3-2-5-16(20)28-23(32)29-21-8-4-6-17(26-21)22(31)27-18-15-25-10-9-19(18)30-13-11-24-12-14-30/h2-10,15,24H,11-14H2,1H3,(H,27,31)(H2,26,28,29,32).
What are the key properties of 6-[(2-methoxyphenyl)carbamoylamino]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide?
6-[(2-methoxyphenyl)carbamoylamino]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide has a molecular weight of 447.50 g/mol, XLogP of 2.79, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methoxyphenyl)carbamoylamino]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 25176017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).