(2S)-1-[3-(2-oxo-1-pyridinyl)propanoyl]-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide

C19H23N5O3 — CID 95724791

IUPAC(2S)-1-[3-(2-oxo-1-pyridinyl)propanoyl]-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide
SMILESO=C(NCc1ccncc1)[C@@H]1CNCCN1C(=O)CCn1ccccc1=O
InChIInChI=1S/C19H23N5O3/c25-17-3-1-2-10-23(17)11-6-18(26)24-12-9-21-14-16(24)19(27)22-13-15-4-7-20-8-5-15/h1-5,7-8,10,16,21H,6,9,11-14H2,(H,22,27)/t16-/m0/s1
InChIKeyLSYICZMZYZTZRS-INIZCTEOSA-N
MW369.42 g/mol
LogP-0.25
Rot. Bonds6

About (2S)-1-[3-(2-oxo-1-pyridinyl)propanoyl]-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide

(2S)-1-[3-(2-oxo-1-pyridinyl)propanoyl]-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide (PubChem CID 95724791) has the molecular formula C19H23N5O3 and a molecular weight of 369.42 g/mol. Its IUPAC name is (2S)-1-[3-(2-oxo-1-pyridinyl)propanoyl]-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[3-(2-oxo-1-pyridinyl)propanoyl]-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide
PubChem CID95724791
Molecular FormulaC19H23N5O3
Molecular Weight369.42 g/mol
Exact Mass369.18
IUPAC Name(2S)-1-[3-(2-oxo-1-pyridinyl)propanoyl]-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide
SMILESO=C(NCc1ccncc1)[C@@H]1CNCCN1C(=O)CCn1ccccc1=O
InChIInChI=1S/C19H23N5O3/c25-17-3-1-2-10-23(17)11-6-18(26)24-12-9-21-14-16(24)19(27)22-13-15-4-7-20-8-5-15/h1-5,7-8,10,16,21H,6,9,11-14H2,(H,22,27)/t16-/m0/s1
InChIKeyLSYICZMZYZTZRS-INIZCTEOSA-N
XLogP-0.25
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(2-methoxyethoxy)acetyl]-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide
CID 56894686
(2R)-1-(1-methylindole-2-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide
CID 95727694
2-(pyridin-3-ylmethylcarbamoyl)piperazine-1-carboxylic acid
CID 118137995
(2S)-1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide
CID 95708878
N-methyl-1-[2-(2-oxo-1-pyridinyl)ethyl]piperazine-2-carboxamide
CID 82907635
tert-butyl 2-(pyridin-3-ylmethylcarbamoyl)piperazine-1-carboxylate
CID 22557197
1-N-benzylpiperazine-1,2-dicarboxamide
CID 107654160
(2S)-1-acetyl-N-(2-phenylethyl)piperazine-2-carboxamide
CID 124958895
methyl 1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperazine-2-carboxylate
CID 156850093
N-(3,5-dichlorophenyl)-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-2-carboxamide
CID 78862576
N-[(4-fluorophenyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86979441
4-[3-(2-oxo-1-pyridinyl)propanoyl]-1,4-diazepan-2-one
CID 62898319

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[3-(2-oxo-1-pyridinyl)propanoyl]-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide?
The IUPAC name of (2S)-1-[3-(2-oxo-1-pyridinyl)propanoyl]-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide (CID 95724791) is (2S)-1-[3-(2-oxo-1-pyridinyl)propanoyl]-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide.
What is the SMILES notation for (2S)-1-[3-(2-oxo-1-pyridinyl)propanoyl]-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide?
The canonical SMILES for (2S)-1-[3-(2-oxo-1-pyridinyl)propanoyl]-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide is O=C(NCc1ccncc1)[C@@H]1CNCCN1C(=O)CCn1ccccc1=O.
What is the InChIKey of (2S)-1-[3-(2-oxo-1-pyridinyl)propanoyl]-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide?
The InChIKey is LSYICZMZYZTZRS-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23N5O3/c25-17-3-1-2-10-23(17)11-6-18(26)24-12-9-21-14-16(24)19(27)22-13-15-4-7-20-8-5-15/h1-5,7-8,10,16,21H,6,9,11-14H2,(H,22,27)/t16-/m0/s1.
What are the key properties of (2S)-1-[3-(2-oxo-1-pyridinyl)propanoyl]-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide?
(2S)-1-[3-(2-oxo-1-pyridinyl)propanoyl]-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide has a molecular weight of 369.42 g/mol, XLogP of -0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[3-(2-oxo-1-pyridinyl)propanoyl]-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide is sourced from PubChem (CID 95724791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).