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

C24H23N9O — CID 66836474

IUPACN-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]pyridine-3-carboxamide
SMILESO=C(Nc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCNCC3)c2)c1)c1cccnc1
InChIInChI=1S/C24H23N9O/c34-24(18-2-1-4-26-15-18)30-19-13-20(31-21(14-19)32-22-16-27-6-7-28-22)17-3-5-29-23(12-17)33-10-8-25-9-11-33/h1-7,12-16,25H,8-11H2,(H2,28,30,31,32,34)
InChIKeyNKYGAVAJVSKKLK-UHFFFAOYSA-N
MW453.51 g/mol
LogP2.73
Rot. Bonds6

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

N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]pyridine-3-carboxamide (PubChem CID 66836474) has the molecular formula C24H23N9O and a molecular weight of 453.51 g/mol. Its IUPAC name is N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]pyridine-3-carboxamide
PubChem CID66836474
Molecular FormulaC24H23N9O
Molecular Weight453.51 g/mol
Exact Mass453.20
IUPAC NameN-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]pyridine-3-carboxamide
SMILESO=C(Nc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCNCC3)c2)c1)c1cccnc1
InChIInChI=1S/C24H23N9O/c34-24(18-2-1-4-26-15-18)30-19-13-20(31-21(14-19)32-22-16-27-6-7-28-22)17-3-5-29-23(12-17)33-10-8-25-9-11-33/h1-7,12-16,25H,8-11H2,(H2,28,30,31,32,34)
InChIKeyNKYGAVAJVSKKLK-UHFFFAOYSA-N
XLogP2.73
TPSA120.85 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.51
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]pyridine-3-carboxamide with MolForge

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Related Compounds

2,5-dimethyl-N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]pyrazole-3-carboxamide
CID 67128132
4-[[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 66836904
4-[[[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]amino]methyl]phenol
CID 66836509
4-[4-[4-[(4-methoxycarbonylbenzoyl)amino]-6-(pyrazin-2-ylamino)-2-pyridinyl]-2-pyridinyl]piperazine-1-carboxylic acid
CID 66836671
4-[[2-[2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-pyridinyl]-6-(pyrazin-2-ylamino)-4-pyridinyl]carbamoyl]benzoic acid
CID 66836565
N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 67127973
tert-butyl 4-[4-[4-[(4-methoxycarbonylbenzoyl)amino]-6-(pyrazin-2-ylamino)-2-pyridinyl]-2-pyridinyl]piperazine-1-carboxylate
CID 66836332
1-(2-piperazin-1-yl-4-pyridinyl)-N-pyrazin-2-ylisoquinolin-3-amine
CID 56947892
tert-butyl 4-[4-[4-[(1-acetylpiperidine-4-carbonyl)amino]-6-(pyrazin-2-ylamino)-2-pyridinyl]-2-pyridinyl]piperazine-1-carboxylate
CID 67128236
4-[4-[4-(aminomethyl)-6-(pyrazin-2-ylamino)-2-pyridinyl]-2-pyridinyl]piperazine-1-carboxylic acid
CID 66836546
tert-butyl 4-[4-[4-[[(2R)-2-(cyclohexylmethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]-6-(pyrazin-2-ylamino)-2-pyridinyl]-2-pyridinyl]piperazine-1-carboxylate
CID 67128105
2-(2-anilino-4-pyridinyl)-N-methyl-6-piperazin-1-ylpyridine-4-carboxamide
CID 67083741

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]pyridine-3-carboxamide (CID 66836474) is N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]pyridine-3-carboxamide is O=C(Nc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCNCC3)c2)c1)c1cccnc1.
What is the InChIKey of N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]pyridine-3-carboxamide?
The InChIKey is NKYGAVAJVSKKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N9O/c34-24(18-2-1-4-26-15-18)30-19-13-20(31-21(14-19)32-22-16-27-6-7-28-22)17-3-5-29-23(12-17)33-10-8-25-9-11-33/h1-7,12-16,25H,8-11H2,(H2,28,30,31,32,34).
What are the key properties of N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]pyridine-3-carboxamide?
N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]pyridine-3-carboxamide has a molecular weight of 453.51 g/mol, XLogP of 2.73, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 66836474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).