2-[1-[5-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]pyridine-3-carbonyl]piperazin-2-yl]acetamide

C25H26N6O3 — CID 20755557

IUPAC2-[1-[5-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]pyridine-3-carbonyl]piperazin-2-yl]acetamide
SMILESNC(=O)CC1CNCCN1C(=O)c1cncc(-c2cccc(NC(=O)Cc3cccnc3)c2)c1
InChIInChI=1S/C25H26N6O3/c26-23(32)12-22-16-28-7-8-31(22)25(34)20-10-19(14-29-15-20)18-4-1-5-21(11-18)30-24(33)9-17-3-2-6-27-13-17/h1-6,10-11,13-15,22,28H,7-9,12,16H2,(H2,26,32)(H,30,33)
InChIKeyMSZVVMMGYBYBQK-UHFFFAOYSA-N
MW458.52 g/mol
LogP1.61
Rot. Bonds7

About 2-[1-[5-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]pyridine-3-carbonyl]piperazin-2-yl]acetamide

2-[1-[5-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]pyridine-3-carbonyl]piperazin-2-yl]acetamide (PubChem CID 20755557) has the molecular formula C25H26N6O3 and a molecular weight of 458.52 g/mol. Its IUPAC name is 2-[1-[5-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]pyridine-3-carbonyl]piperazin-2-yl]acetamide.

Molecular Properties

Compound Name2-[1-[5-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]pyridine-3-carbonyl]piperazin-2-yl]acetamide
PubChem CID20755557
Molecular FormulaC25H26N6O3
Molecular Weight458.52 g/mol
Exact Mass458.21
IUPAC Name2-[1-[5-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]pyridine-3-carbonyl]piperazin-2-yl]acetamide
SMILESNC(=O)CC1CNCCN1C(=O)c1cncc(-c2cccc(NC(=O)Cc3cccnc3)c2)c1
InChIInChI=1S/C25H26N6O3/c26-23(32)12-22-16-28-7-8-31(22)25(34)20-10-19(14-29-15-20)18-4-1-5-21(11-18)30-24(33)9-17-3-2-6-27-13-17/h1-6,10-11,13-15,22,28H,7-9,12,16H2,(H2,26,32)(H,30,33)
InChIKeyMSZVVMMGYBYBQK-UHFFFAOYSA-N
XLogP1.61
TPSA130.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]propanamide
CID 120731082
N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide
CID 156839204
N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]acetamide
CID 120731720
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120755187
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;dihydrochloride
CID 120755186
N-(3-pyridin-3-ylphenyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide
CID 70752205
[(2S)-2-phenylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 94993839
N-(4-chlorophenyl)-2-(2-pyridin-3-ylethyl)piperazine-1-carboxamide;dihydrochloride
CID 66797152
[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 120729515
3-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]propanoic acid
CID 115339339
N-piperidin-3-yl-2-pyridin-3-ylacetamide
CID 63321155
N-(3-pyridin-3-ylphenyl)pyridine-3-carboxamide
CID 110461666

Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]pyridine-3-carbonyl]piperazin-2-yl]acetamide?
The IUPAC name of 2-[1-[5-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]pyridine-3-carbonyl]piperazin-2-yl]acetamide (CID 20755557) is 2-[1-[5-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]pyridine-3-carbonyl]piperazin-2-yl]acetamide.
What is the SMILES notation for 2-[1-[5-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]pyridine-3-carbonyl]piperazin-2-yl]acetamide?
The canonical SMILES for 2-[1-[5-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]pyridine-3-carbonyl]piperazin-2-yl]acetamide is NC(=O)CC1CNCCN1C(=O)c1cncc(-c2cccc(NC(=O)Cc3cccnc3)c2)c1.
What is the InChIKey of 2-[1-[5-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]pyridine-3-carbonyl]piperazin-2-yl]acetamide?
The InChIKey is MSZVVMMGYBYBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3/c26-23(32)12-22-16-28-7-8-31(22)25(34)20-10-19(14-29-15-20)18-4-1-5-21(11-18)30-24(33)9-17-3-2-6-27-13-17/h1-6,10-11,13-15,22,28H,7-9,12,16H2,(H2,26,32)(H,30,33).
What are the key properties of 2-[1-[5-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]pyridine-3-carbonyl]piperazin-2-yl]acetamide?
2-[1-[5-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]pyridine-3-carbonyl]piperazin-2-yl]acetamide has a molecular weight of 458.52 g/mol, XLogP of 1.61, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]pyridine-3-carbonyl]piperazin-2-yl]acetamide is sourced from PubChem (CID 20755557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).