N-(4-piperazin-1-yl-3-pyridinyl)-6-pyridin-4-ylpyridine-2-carboxamide

C20H20N6O — CID 25176181

IUPACN-(4-piperazin-1-yl-3-pyridinyl)-6-pyridin-4-ylpyridine-2-carboxamide
SMILESO=C(Nc1cnccc1N1CCNCC1)c1cccc(-c2ccncc2)n1
InChIInChI=1S/C20H20N6O/c27-20(17-3-1-2-16(24-17)15-4-7-21-8-5-15)25-18-14-23-9-6-19(18)26-12-10-22-11-13-26/h1-9,14,22H,10-13H2,(H,25,27)
InChIKeySAHFGJVOIPBQRA-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.20
Rot. Bonds4

About N-(4-piperazin-1-yl-3-pyridinyl)-6-pyridin-4-ylpyridine-2-carboxamide

N-(4-piperazin-1-yl-3-pyridinyl)-6-pyridin-4-ylpyridine-2-carboxamide (PubChem CID 25176181) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is N-(4-piperazin-1-yl-3-pyridinyl)-6-pyridin-4-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-piperazin-1-yl-3-pyridinyl)-6-pyridin-4-ylpyridine-2-carboxamide
PubChem CID25176181
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC NameN-(4-piperazin-1-yl-3-pyridinyl)-6-pyridin-4-ylpyridine-2-carboxamide
SMILESO=C(Nc1cnccc1N1CCNCC1)c1cccc(-c2ccncc2)n1
InChIInChI=1S/C20H20N6O/c27-20(17-3-1-2-16(24-17)15-4-7-21-8-5-15)25-18-14-23-9-6-19(18)26-12-10-22-11-13-26/h1-9,14,22H,10-13H2,(H,25,27)
InChIKeySAHFGJVOIPBQRA-UHFFFAOYSA-N
XLogP2.20
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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N-{4-[(3r,4r,5s)-3-Amino-4-Hydroxy-5-Methylpiperidin-1-Yl]pyridin-3-Yl}-6-(2,6-Difluorophenyl)-5-Fluoropyridine-2-Carboxamide
CID 46179018
3-amino-N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
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N-(2-aminophenyl)-4-{5-[(4-ethylpiperazin-1-yl)methyl]-3-methylpyridin-2-yl}benzamide
CID 11633344
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Frequently Asked Questions

What is the IUPAC name of N-(4-piperazin-1-yl-3-pyridinyl)-6-pyridin-4-ylpyridine-2-carboxamide?
The IUPAC name of N-(4-piperazin-1-yl-3-pyridinyl)-6-pyridin-4-ylpyridine-2-carboxamide (CID 25176181) is N-(4-piperazin-1-yl-3-pyridinyl)-6-pyridin-4-ylpyridine-2-carboxamide.
What is the SMILES notation for N-(4-piperazin-1-yl-3-pyridinyl)-6-pyridin-4-ylpyridine-2-carboxamide?
The canonical SMILES for N-(4-piperazin-1-yl-3-pyridinyl)-6-pyridin-4-ylpyridine-2-carboxamide is O=C(Nc1cnccc1N1CCNCC1)c1cccc(-c2ccncc2)n1.
What is the InChIKey of N-(4-piperazin-1-yl-3-pyridinyl)-6-pyridin-4-ylpyridine-2-carboxamide?
The InChIKey is SAHFGJVOIPBQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c27-20(17-3-1-2-16(24-17)15-4-7-21-8-5-15)25-18-14-23-9-6-19(18)26-12-10-22-11-13-26/h1-9,14,22H,10-13H2,(H,25,27).
What are the key properties of N-(4-piperazin-1-yl-3-pyridinyl)-6-pyridin-4-ylpyridine-2-carboxamide?
N-(4-piperazin-1-yl-3-pyridinyl)-6-pyridin-4-ylpyridine-2-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperazin-1-yl-3-pyridinyl)-6-pyridin-4-ylpyridine-2-carboxamide is sourced from PubChem (CID 25176181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).