(3S)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide

C17H21N5O2 — CID 38418637

IUPAC(3S)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN1C[C@@H](C(=O)Nc2ccc(-n3nc(C)cc3C)nc2)CC1=O
InChIInChI=1S/C17H21N5O2/c1-4-21-10-13(8-16(21)23)17(24)19-14-5-6-15(18-9-14)22-12(3)7-11(2)20-22/h5-7,9,13H,4,8,10H2,1-3H3,(H,19,24)/t13-/m0/s1
InChIKeyOVUIKNQMSZWBEL-ZDUSSCGKSA-N
MW327.39 g/mol
LogP1.69
Rot. Bonds4

About (3S)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide

(3S)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 38418637) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is (3S)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
PubChem CID38418637
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name(3S)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN1C[C@@H](C(=O)Nc2ccc(-n3nc(C)cc3C)nc2)CC1=O
InChIInChI=1S/C17H21N5O2/c1-4-21-10-13(8-16(21)23)17(24)19-14-5-6-15(18-9-14)22-12(3)7-11(2)20-22/h5-7,9,13H,4,8,10H2,1-3H3,(H,19,24)/t13-/m0/s1
InChIKeyOVUIKNQMSZWBEL-ZDUSSCGKSA-N
XLogP1.69
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 38418613
cis-(1R,2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124623368
(3S)-1-ethyl-5-oxo-N-(2-phenylpyrimidin-5-yl)pyrrolidine-3-carboxamide
CID 94092655
6-(3,5-dimethylpyrazol-1-yl)-N-(6-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 166228864
1-(4-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-5-oxopyrrolidine-3-carboxamide
CID 122300462
4-amino-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]pentanamide;dihydrochloride
CID 120564625
2-[4-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]acetic acid
CID 43358506
3-[(dimethylamino)methyl]-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]pyrrolidine-1-carboxamide
CID 138042793
5-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 63153999
1-amino-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119848681
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 122300460
1-(4-chlorophenyl)-N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 122292483

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide (CID 38418637) is (3S)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide is CCN1C[C@@H](C(=O)Nc2ccc(-n3nc(C)cc3C)nc2)CC1=O.
What is the InChIKey of (3S)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OVUIKNQMSZWBEL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-4-21-10-13(8-16(21)23)17(24)19-14-5-6-15(18-9-14)22-12(3)7-11(2)20-22/h5-7,9,13H,4,8,10H2,1-3H3,(H,19,24)/t13-/m0/s1.
What are the key properties of (3S)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
(3S)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 38418637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).