6-(5-oxo-1H-pyrazol-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

C16H21N5O2 — CID 154012978

IUPAC6-(5-oxo-1H-pyrazol-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESC[C@@H]1CN(c2nc(-n3ccc(=O)[nH]3)ccc2C(N)=O)C(C)(C)C1
InChIInChI=1S/C16H21N5O2/c1-10-8-16(2,3)20(9-10)15-11(14(17)23)4-5-12(18-15)21-7-6-13(22)19-21/h4-7,10H,8-9H2,1-3H3,(H2,17,23)(H,19,22)/t10-/m0/s1
InChIKeyJFKNLVHPPWJFQS-JTQLQIEISA-N
MW315.38 g/mol
LogP1.28
Rot. Bonds3

About 6-(5-oxo-1H-pyrazol-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

6-(5-oxo-1H-pyrazol-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 154012978) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 6-(5-oxo-1H-pyrazol-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(5-oxo-1H-pyrazol-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID154012978
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name6-(5-oxo-1H-pyrazol-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESC[C@@H]1CN(c2nc(-n3ccc(=O)[nH]3)ccc2C(N)=O)C(C)(C)C1
InChIInChI=1S/C16H21N5O2/c1-10-8-16(2,3)20(9-10)15-11(14(17)23)4-5-12(18-15)21-7-6-13(22)19-21/h4-7,10H,8-9H2,1-3H3,(H2,17,23)(H,19,22)/t10-/m0/s1
InChIKeyJFKNLVHPPWJFQS-JTQLQIEISA-N
XLogP1.28
TPSA97.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5-oxo-1H-pyrazol-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 6-(5-oxo-1H-pyrazol-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 154012978) is 6-(5-oxo-1H-pyrazol-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(5-oxo-1H-pyrazol-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-(5-oxo-1H-pyrazol-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is C[C@@H]1CN(c2nc(-n3ccc(=O)[nH]3)ccc2C(N)=O)C(C)(C)C1.
What is the InChIKey of 6-(5-oxo-1H-pyrazol-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is JFKNLVHPPWJFQS-JTQLQIEISA-N. The full InChI is InChI=1S/C16H21N5O2/c1-10-8-16(2,3)20(9-10)15-11(14(17)23)4-5-12(18-15)21-7-6-13(22)19-21/h4-7,10H,8-9H2,1-3H3,(H2,17,23)(H,19,22)/t10-/m0/s1.
What are the key properties of 6-(5-oxo-1H-pyrazol-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
6-(5-oxo-1H-pyrazol-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-oxo-1H-pyrazol-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 154012978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).