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

C16H19N5O2 — CID 38418613

IUPAC(3R)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CC(=O)N(C)C3)cn2)n1
InChIInChI=1S/C16H19N5O2/c1-10-6-11(2)21(19-10)14-5-4-13(8-17-14)18-16(23)12-7-15(22)20(3)9-12/h4-6,8,12H,7,9H2,1-3H3,(H,18,23)/t12-/m1/s1
InChIKeyHNFXQFVCKVHMSW-GFCCVEGCSA-N
MW313.36 g/mol
LogP1.30
Rot. Bonds3

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

(3R)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 38418613) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is (3R)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID38418613
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name(3R)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CC(=O)N(C)C3)cn2)n1
InChIInChI=1S/C16H19N5O2/c1-10-6-11(2)21(19-10)14-5-4-13(8-17-14)18-16(23)12-7-15(22)20(3)9-12/h4-6,8,12H,7,9H2,1-3H3,(H,18,23)/t12-/m1/s1
InChIKeyHNFXQFVCKVHMSW-GFCCVEGCSA-N
XLogP1.30
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 38418637
(2S,4S)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120632728
cis-(1R,2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124623368
1-methyl-N-[6-(2-methylmorpholin-4-yl)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide
CID 166395961
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
1-methyl-5-oxo-N-quinolin-3-ylpyrrolidine-3-carboxamide
CID 43926673
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 122300460
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-iodobenzamide
CID 31923974
1-(4-chlorophenyl)-N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 122292483
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 38420472
3,5-dichloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]benzamide
CID 31923949

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 38418613) is (3R)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-methyl-5-oxopyrrolidine-3-carboxamide is Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CC(=O)N(C)C3)cn2)n1.
What is the InChIKey of (3R)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HNFXQFVCKVHMSW-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-10-6-11(2)21(19-10)14-5-4-13(8-17-14)18-16(23)12-7-15(22)20(3)9-12/h4-6,8,12H,7,9H2,1-3H3,(H,18,23)/t12-/m1/s1.
What are the key properties of (3R)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 38418613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).