2-amino-5-(3-piperazin-1-ylphenyl)-N-pyridin-4-ylpyridine-3-carboxamide

C21H22N6O — CID 138377600

IUPAC2-amino-5-(3-piperazin-1-ylphenyl)-N-pyridin-4-ylpyridine-3-carboxamide
SMILESNc1ncc(-c2cccc(N3CCNCC3)c2)cc1C(=O)Nc1ccncc1
InChIInChI=1S/C21H22N6O/c22-20-19(21(28)26-17-4-6-23-7-5-17)13-16(14-25-20)15-2-1-3-18(12-15)27-10-8-24-9-11-27/h1-7,12-14,24H,8-11H2,(H2,22,25)(H,23,26,28)
InChIKeyYDMJAALVMGFGRY-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.39
Rot. Bonds4

About 2-amino-5-(3-piperazin-1-ylphenyl)-N-pyridin-4-ylpyridine-3-carboxamide

2-amino-5-(3-piperazin-1-ylphenyl)-N-pyridin-4-ylpyridine-3-carboxamide (PubChem CID 138377600) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 2-amino-5-(3-piperazin-1-ylphenyl)-N-pyridin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-(3-piperazin-1-ylphenyl)-N-pyridin-4-ylpyridine-3-carboxamide
PubChem CID138377600
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name2-amino-5-(3-piperazin-1-ylphenyl)-N-pyridin-4-ylpyridine-3-carboxamide
SMILESNc1ncc(-c2cccc(N3CCNCC3)c2)cc1C(=O)Nc1ccncc1
InChIInChI=1S/C21H22N6O/c22-20-19(21(28)26-17-4-6-23-7-5-17)13-16(14-25-20)15-2-1-3-18(12-15)27-10-8-24-9-11-27/h1-7,12-14,24H,8-11H2,(H2,22,25)(H,23,26,28)
InChIKeyYDMJAALVMGFGRY-UHFFFAOYSA-N
XLogP2.39
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-piperazin-1-ylphenyl)-N-pyridin-4-ylpyridine-3-carboxamide?
The IUPAC name of 2-amino-5-(3-piperazin-1-ylphenyl)-N-pyridin-4-ylpyridine-3-carboxamide (CID 138377600) is 2-amino-5-(3-piperazin-1-ylphenyl)-N-pyridin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-(3-piperazin-1-ylphenyl)-N-pyridin-4-ylpyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-(3-piperazin-1-ylphenyl)-N-pyridin-4-ylpyridine-3-carboxamide is Nc1ncc(-c2cccc(N3CCNCC3)c2)cc1C(=O)Nc1ccncc1.
What is the InChIKey of 2-amino-5-(3-piperazin-1-ylphenyl)-N-pyridin-4-ylpyridine-3-carboxamide?
The InChIKey is YDMJAALVMGFGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c22-20-19(21(28)26-17-4-6-23-7-5-17)13-16(14-25-20)15-2-1-3-18(12-15)27-10-8-24-9-11-27/h1-7,12-14,24H,8-11H2,(H2,22,25)(H,23,26,28).
What are the key properties of 2-amino-5-(3-piperazin-1-ylphenyl)-N-pyridin-4-ylpyridine-3-carboxamide?
2-amino-5-(3-piperazin-1-ylphenyl)-N-pyridin-4-ylpyridine-3-carboxamide has a molecular weight of 374.45 g/mol, XLogP of 2.39, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-piperazin-1-ylphenyl)-N-pyridin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 138377600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).