(3S)-5-oxo-N-(2-pyrazol-1-ylethyl)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

C16H19N5O2 — CID 28786699

IUPAC(3S)-5-oxo-N-(2-pyrazol-1-ylethyl)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCn1cccn1)[C@H]1CC(=O)N(Cc2cccnc2)C1
InChIInChI=1S/C16H19N5O2/c22-15-9-14(12-20(15)11-13-3-1-4-17-10-13)16(23)18-6-8-21-7-2-5-19-21/h1-5,7,10,14H,6,8-9,11-12H2,(H,18,23)/t14-/m0/s1
InChIKeyHWLHFRZQQBXWHL-AWEZNQCLSA-N
MW313.36 g/mol
LogP0.44
Rot. Bonds6

About (3S)-5-oxo-N-(2-pyrazol-1-ylethyl)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

(3S)-5-oxo-N-(2-pyrazol-1-ylethyl)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 28786699) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is (3S)-5-oxo-N-(2-pyrazol-1-ylethyl)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-5-oxo-N-(2-pyrazol-1-ylethyl)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID28786699
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name(3S)-5-oxo-N-(2-pyrazol-1-ylethyl)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCn1cccn1)[C@H]1CC(=O)N(Cc2cccnc2)C1
InChIInChI=1S/C16H19N5O2/c22-15-9-14(12-20(15)11-13-3-1-4-17-10-13)16(23)18-6-8-21-7-2-5-19-21/h1-5,7,10,14H,6,8-9,11-12H2,(H,18,23)/t14-/m0/s1
InChIKeyHWLHFRZQQBXWHL-AWEZNQCLSA-N
XLogP0.44
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-[2-(N-methylanilino)ethyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 97279150
N-(2-benzylsulfanylethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 74237202
N-[2-[4-(dimethylamino)phenyl]ethyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 72864326
(3R)-N-(2-cyclohexylsulfanylethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 97280398
N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 72860084
(3R)-5-oxo-1-(pyridin-3-ylmethyl)-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]pyrrolidine-3-carboxamide
CID 97198277
N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 72886612
N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 72903376
methyl (3R)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate
CID 42579837
N-[3-(2-methoxyphenyl)propyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 74233936
(3R)-N-[2-(1H-benzimidazol-2-yl)ethyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 97207756
(3S)-5-oxo-1-(pyridin-3-ylmethyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 97188890

Frequently Asked Questions

What is the IUPAC name of (3S)-5-oxo-N-(2-pyrazol-1-ylethyl)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-5-oxo-N-(2-pyrazol-1-ylethyl)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (CID 28786699) is (3S)-5-oxo-N-(2-pyrazol-1-ylethyl)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-5-oxo-N-(2-pyrazol-1-ylethyl)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-5-oxo-N-(2-pyrazol-1-ylethyl)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is O=C(NCCn1cccn1)[C@H]1CC(=O)N(Cc2cccnc2)C1.
What is the InChIKey of (3S)-5-oxo-N-(2-pyrazol-1-ylethyl)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is HWLHFRZQQBXWHL-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19N5O2/c22-15-9-14(12-20(15)11-13-3-1-4-17-10-13)16(23)18-6-8-21-7-2-5-19-21/h1-5,7,10,14H,6,8-9,11-12H2,(H,18,23)/t14-/m0/s1.
What are the key properties of (3S)-5-oxo-N-(2-pyrazol-1-ylethyl)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
(3S)-5-oxo-N-(2-pyrazol-1-ylethyl)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-oxo-N-(2-pyrazol-1-ylethyl)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 28786699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).