6-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(5-methoxy-1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide

C47H46N12O3 — CID 143750719

IUPAC6-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(5-methoxy-1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide
SMILESCOc1ccc2[nH]c(-c3cccc(C(=O)Nc4cnccc4N4CCNCC4)n3)cc2c1.O=C(Nc1cnccc1N1CCNCC1)c1cccc(-c2ccc3[nH]ccc3c2)n1
InChIInChI=1S/C24H24N6O2.C23H22N6O/c1-32-17-5-6-18-16(13-17)14-21(27-18)19-3-2-4-20(28-19)24(31)29-22-15-26-8-7-23(22)30-11-9-25-10-12-30;30-23(28-21-15-25-8-7-22(21)29-12-10-24-11-13-29)20-3-1-2-19(27-20)16-4-5-18-17(14-16)6-9-26-18/h2-8,13-15,25,27H,9-12H2,1H3,(H,29,31);1-9,14-15,24,26H,10-13H2,(H,28,30)
InChIKeyIEEGUHLUFCKZMC-UHFFFAOYSA-N
MW826.97 g/mol
LogP6.58
Rot. Bonds9

About 6-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(5-methoxy-1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide

6-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(5-methoxy-1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide (PubChem CID 143750719) has the molecular formula C47H46N12O3 and a molecular weight of 826.97 g/mol. Its IUPAC name is 6-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(5-methoxy-1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(5-methoxy-1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide
PubChem CID143750719
Molecular FormulaC47H46N12O3
Molecular Weight826.97 g/mol
Exact Mass826.38
IUPAC Name6-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(5-methoxy-1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide
SMILESCOc1ccc2[nH]c(-c3cccc(C(=O)Nc4cnccc4N4CCNCC4)n3)cc2c1.O=C(Nc1cnccc1N1CCNCC1)c1cccc(-c2ccc3[nH]ccc3c2)n1
InChIInChI=1S/C24H24N6O2.C23H22N6O/c1-32-17-5-6-18-16(13-17)14-21(27-18)19-3-2-4-20(28-19)24(31)29-22-15-26-8-7-23(22)30-11-9-25-10-12-30;30-23(28-21-15-25-8-7-22(21)29-12-10-24-11-13-29)20-3-1-2-19(27-20)16-4-5-18-17(14-16)6-9-26-18/h2-8,13-15,25,27H,9-12H2,1H3,(H,29,31);1-9,14-15,24,26H,10-13H2,(H,28,30)
InChIKeyIEEGUHLUFCKZMC-UHFFFAOYSA-N
XLogP6.58
TPSA181.11 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500826.97
LogP ≤ 56.58
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Analyze 6-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(5-methoxy-1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-(4-piperazin-1-yl-3-pyridinyl)-6-pyridin-4-ylpyridine-2-carboxamide
CID 25176181
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
6-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide
CID 25174250
2-[4-(4-methoxyphenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
CID 59569478
N-(4-piperazin-1-yl-3-pyridinyl)-6-thiophen-2-ylpyridine-2-carboxamide
CID 25176508
2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
CID 59569538
6-[(2-methoxyphenyl)carbamoylamino]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide
CID 25176017
2-(2-fluoro-5-methoxyphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 25096001
2-(6-methoxy-3-pyridinyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
CID 59569279
1-(2,5-dimethoxyphenyl)-3-[6-[1-[(4-piperazin-1-yl-3-pyridinyl)amino]ethenyl]-2-pyridinyl]urea
CID 89210298
6-(6,7-dimethoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide
CID 25174567
2-(7-methoxy-3-oxo-1,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 24952335

Frequently Asked Questions

What is the IUPAC name of 6-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(5-methoxy-1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide?
The IUPAC name of 6-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(5-methoxy-1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide (CID 143750719) is 6-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(5-methoxy-1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(5-methoxy-1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(5-methoxy-1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide is COc1ccc2[nH]c(-c3cccc(C(=O)Nc4cnccc4N4CCNCC4)n3)cc2c1.O=C(Nc1cnccc1N1CCNCC1)c1cccc(-c2ccc3[nH]ccc3c2)n1.
What is the InChIKey of 6-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(5-methoxy-1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide?
The InChIKey is IEEGUHLUFCKZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2.C23H22N6O/c1-32-17-5-6-18-16(13-17)14-21(27-18)19-3-2-4-20(28-19)24(31)29-22-15-26-8-7-23(22)30-11-9-25-10-12-30;30-23(28-21-15-25-8-7-22(21)29-12-10-24-11-13-29)20-3-1-2-19(27-20)16-4-5-18-17(14-16)6-9-26-18/h2-8,13-15,25,27H,9-12H2,1H3,(H,29,31);1-9,14-15,24,26H,10-13H2,(H,28,30).
What are the key properties of 6-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(5-methoxy-1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide?
6-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(5-methoxy-1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide has a molecular weight of 826.97 g/mol, XLogP of 6.58, 9 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(5-methoxy-1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 143750719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).