N-[3-oxo-3-[4-(pyridine-2-carbonyl)piperazin-1-yl]propyl]pyridine-2-carboxamide

C19H21N5O3 — CID 75395596

IUPACN-[3-oxo-3-[4-(pyridine-2-carbonyl)piperazin-1-yl]propyl]pyridine-2-carboxamide
SMILESO=C(NCCC(=O)N1CCN(C(=O)c2ccccn2)CC1)c1ccccn1
InChIInChI=1S/C19H21N5O3/c25-17(7-10-22-18(26)15-5-1-3-8-20-15)23-11-13-24(14-12-23)19(27)16-6-2-4-9-21-16/h1-6,8-9H,7,10-14H2,(H,22,26)
InChIKeyXXHNMHJNASJMRW-UHFFFAOYSA-N
MW367.41 g/mol
LogP0.58
Rot. Bonds5

About N-[3-oxo-3-[4-(pyridine-2-carbonyl)piperazin-1-yl]propyl]pyridine-2-carboxamide

N-[3-oxo-3-[4-(pyridine-2-carbonyl)piperazin-1-yl]propyl]pyridine-2-carboxamide (PubChem CID 75395596) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[3-oxo-3-[4-(pyridine-2-carbonyl)piperazin-1-yl]propyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-[4-(pyridine-2-carbonyl)piperazin-1-yl]propyl]pyridine-2-carboxamide
PubChem CID75395596
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC NameN-[3-oxo-3-[4-(pyridine-2-carbonyl)piperazin-1-yl]propyl]pyridine-2-carboxamide
SMILESO=C(NCCC(=O)N1CCN(C(=O)c2ccccn2)CC1)c1ccccn1
InChIInChI=1S/C19H21N5O3/c25-17(7-10-22-18(26)15-5-1-3-8-20-15)23-11-13-24(14-12-23)19(27)16-6-2-4-9-21-16/h1-6,8-9H,7,10-14H2,(H,22,26)
InChIKeyXXHNMHJNASJMRW-UHFFFAOYSA-N
XLogP0.58
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-1-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110808251
1-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110809228
N-[6-(pyridine-2-carbonylamino)hexyl]pyridine-2-carboxamide;hydrochloride
CID 54601367
N-(2-bromoethyl)pyridine-2-carboxamide
CID 12983473
[4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 30346280
(2-hydroxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
CID 108534823
N-[3-(cyclopentylamino)-3-oxopropyl]pyridine-2-carboxamide
CID 86828824
N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 977791
N-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]pyrazine-2-carboxamide
CID 47841965
1-[2-(pyridine-2-carbonylamino)acetyl]piperidine-4-carboxylic acid
CID 119349505
2-(2-methoxyphenyl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone
CID 38785944
[4-(hydroxyamino)phenyl]-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
CID 139375717

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[4-(pyridine-2-carbonyl)piperazin-1-yl]propyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-oxo-3-[4-(pyridine-2-carbonyl)piperazin-1-yl]propyl]pyridine-2-carboxamide (CID 75395596) is N-[3-oxo-3-[4-(pyridine-2-carbonyl)piperazin-1-yl]propyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-oxo-3-[4-(pyridine-2-carbonyl)piperazin-1-yl]propyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-oxo-3-[4-(pyridine-2-carbonyl)piperazin-1-yl]propyl]pyridine-2-carboxamide is O=C(NCCC(=O)N1CCN(C(=O)c2ccccn2)CC1)c1ccccn1.
What is the InChIKey of N-[3-oxo-3-[4-(pyridine-2-carbonyl)piperazin-1-yl]propyl]pyridine-2-carboxamide?
The InChIKey is XXHNMHJNASJMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c25-17(7-10-22-18(26)15-5-1-3-8-20-15)23-11-13-24(14-12-23)19(27)16-6-2-4-9-21-16/h1-6,8-9H,7,10-14H2,(H,22,26).
What are the key properties of N-[3-oxo-3-[4-(pyridine-2-carbonyl)piperazin-1-yl]propyl]pyridine-2-carboxamide?
N-[3-oxo-3-[4-(pyridine-2-carbonyl)piperazin-1-yl]propyl]pyridine-2-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[4-(pyridine-2-carbonyl)piperazin-1-yl]propyl]pyridine-2-carboxamide is sourced from PubChem (CID 75395596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).