4-(N-cyclopropylanilino)-6-(3-piperazin-1-ylanilino)pyridine-3-carboxamide

C25H28N6O — CID 67508104

IUPAC4-(N-cyclopropylanilino)-6-(3-piperazin-1-ylanilino)pyridine-3-carboxamide
SMILESNC(=O)c1cnc(Nc2cccc(N3CCNCC3)c2)cc1N(c1ccccc1)C1CC1
InChIInChI=1S/C25H28N6O/c26-25(32)22-17-28-24(16-23(22)31(20-9-10-20)19-6-2-1-3-7-19)29-18-5-4-8-21(15-18)30-13-11-27-12-14-30/h1-8,15-17,20,27H,9-14H2,(H2,26,32)(H,28,29)
InChIKeySLCLHFRBUOAIJF-UHFFFAOYSA-N
MW428.54 g/mol
LogP3.63
Rot. Bonds7

About 4-(N-cyclopropylanilino)-6-(3-piperazin-1-ylanilino)pyridine-3-carboxamide

4-(N-cyclopropylanilino)-6-(3-piperazin-1-ylanilino)pyridine-3-carboxamide (PubChem CID 67508104) has the molecular formula C25H28N6O and a molecular weight of 428.54 g/mol. Its IUPAC name is 4-(N-cyclopropylanilino)-6-(3-piperazin-1-ylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(N-cyclopropylanilino)-6-(3-piperazin-1-ylanilino)pyridine-3-carboxamide
PubChem CID67508104
Molecular FormulaC25H28N6O
Molecular Weight428.54 g/mol
Exact Mass428.23
IUPAC Name4-(N-cyclopropylanilino)-6-(3-piperazin-1-ylanilino)pyridine-3-carboxamide
SMILESNC(=O)c1cnc(Nc2cccc(N3CCNCC3)c2)cc1N(c1ccccc1)C1CC1
InChIInChI=1S/C25H28N6O/c26-25(32)22-17-28-24(16-23(22)31(20-9-10-20)19-6-2-1-3-7-19)29-18-5-4-8-21(15-18)30-13-11-27-12-14-30/h1-8,15-17,20,27H,9-14H2,(H2,26,32)(H,28,29)
InChIKeySLCLHFRBUOAIJF-UHFFFAOYSA-N
XLogP3.63
TPSA86.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-(N-cyclopropylanilino)-6-[4-(4,4-difluoropiperidin-1-yl)anilino]pyridine-3-carboxamide
CID 67509104
4-[(3,5-difluorophenyl)methylamino]-6-(3-piperazin-1-ylanilino)pyridine-3-carboxamide
CID 46219966
2-(3-acetamidoanilino)-4-(N-cyclopropylanilino)pyrimidine-5-carboxamide
CID 68757072
4-[(3-fluorophenyl)methylamino]-6-(3-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 56969795
4-(benzylamino)-6-[4-(2-oxo-2-piperidin-4-ylethyl)anilino]pyridine-3-carboxamide
CID 58450567
6-[4-(oxan-4-yl)anilino]-4-[piperidin-4-yl(propanoyl)amino]pyridine-3-carboxamide
CID 67509649
6-[(5-aminopyrazin-2-yl)amino]-N-(3-morpholin-4-ylphenyl)-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide
CID 71022180
4-(benzylamino)-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 46218740
4-(N-cyclopropylanilino)pyrimidine-5-carboxamide
CID 68759030
2-(2,6-difluorophenyl)-5-(3-piperazin-1-ylanilino)-1,3-oxazole-4-carboxamide
CID 59587658
4-(benzylamino)-6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)anilino]pyridine-3-carboxamide
CID 58450630
2-cyclopentyl-N-(5-piperazin-1-yl-2-pyridinyl)acetamide
CID 119260362

Frequently Asked Questions

What is the IUPAC name of 4-(N-cyclopropylanilino)-6-(3-piperazin-1-ylanilino)pyridine-3-carboxamide?
The IUPAC name of 4-(N-cyclopropylanilino)-6-(3-piperazin-1-ylanilino)pyridine-3-carboxamide (CID 67508104) is 4-(N-cyclopropylanilino)-6-(3-piperazin-1-ylanilino)pyridine-3-carboxamide.
What is the SMILES notation for 4-(N-cyclopropylanilino)-6-(3-piperazin-1-ylanilino)pyridine-3-carboxamide?
The canonical SMILES for 4-(N-cyclopropylanilino)-6-(3-piperazin-1-ylanilino)pyridine-3-carboxamide is NC(=O)c1cnc(Nc2cccc(N3CCNCC3)c2)cc1N(c1ccccc1)C1CC1.
What is the InChIKey of 4-(N-cyclopropylanilino)-6-(3-piperazin-1-ylanilino)pyridine-3-carboxamide?
The InChIKey is SLCLHFRBUOAIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O/c26-25(32)22-17-28-24(16-23(22)31(20-9-10-20)19-6-2-1-3-7-19)29-18-5-4-8-21(15-18)30-13-11-27-12-14-30/h1-8,15-17,20,27H,9-14H2,(H2,26,32)(H,28,29).
What are the key properties of 4-(N-cyclopropylanilino)-6-(3-piperazin-1-ylanilino)pyridine-3-carboxamide?
4-(N-cyclopropylanilino)-6-(3-piperazin-1-ylanilino)pyridine-3-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 3.63, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-cyclopropylanilino)-6-(3-piperazin-1-ylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 67508104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).