4-methyl-N-[2-[(2S)-3-methylbutan-2-yl]pyrazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide

C15H24N4O — CID 125168659

IUPAC4-methyl-N-[2-[(2S)-3-methylbutan-2-yl]pyrazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC1=CCN(C(=O)Nc2ccnn2[C@@H](C)C(C)C)CC1
InChIInChI=1S/C15H24N4O/c1-11(2)13(4)19-14(5-8-16-19)17-15(20)18-9-6-12(3)7-10-18/h5-6,8,11,13H,7,9-10H2,1-4H3,(H,17,20)/t13-/m0/s1
InChIKeyCURCEQMHHLQEJT-ZDUSSCGKSA-N
MW276.38 g/mol
LogP3.28
Rot. Bonds3

About 4-methyl-N-[2-[(2S)-3-methylbutan-2-yl]pyrazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide

4-methyl-N-[2-[(2S)-3-methylbutan-2-yl]pyrazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 125168659) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-methyl-N-[2-[(2S)-3-methylbutan-2-yl]pyrazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-[(2S)-3-methylbutan-2-yl]pyrazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID125168659
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name4-methyl-N-[2-[(2S)-3-methylbutan-2-yl]pyrazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC1=CCN(C(=O)Nc2ccnn2[C@@H](C)C(C)C)CC1
InChIInChI=1S/C15H24N4O/c1-11(2)13(4)19-14(5-8-16-19)17-15(20)18-9-6-12(3)7-10-18/h5-6,8,11,13H,7,9-10H2,1-4H3,(H,17,20)/t13-/m0/s1
InChIKeyCURCEQMHHLQEJT-ZDUSSCGKSA-N
XLogP3.28
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[(2S)-3-methylbutan-2-yl]pyrazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 4-methyl-N-[2-[(2S)-3-methylbutan-2-yl]pyrazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide (CID 125168659) is 4-methyl-N-[2-[(2S)-3-methylbutan-2-yl]pyrazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-[(2S)-3-methylbutan-2-yl]pyrazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 4-methyl-N-[2-[(2S)-3-methylbutan-2-yl]pyrazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide is CC1=CCN(C(=O)Nc2ccnn2[C@@H](C)C(C)C)CC1.
What is the InChIKey of 4-methyl-N-[2-[(2S)-3-methylbutan-2-yl]pyrazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is CURCEQMHHLQEJT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N4O/c1-11(2)13(4)19-14(5-8-16-19)17-15(20)18-9-6-12(3)7-10-18/h5-6,8,11,13H,7,9-10H2,1-4H3,(H,17,20)/t13-/m0/s1.
What are the key properties of 4-methyl-N-[2-[(2S)-3-methylbutan-2-yl]pyrazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
4-methyl-N-[2-[(2S)-3-methylbutan-2-yl]pyrazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[(2S)-3-methylbutan-2-yl]pyrazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 125168659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).