6-(3-methylpyrazol-1-yl)-N-propan-2-ylpyridine-3-carboxamide

C13H16N4O — CID 53014458

IUPAC6-(3-methylpyrazol-1-yl)-N-propan-2-ylpyridine-3-carboxamide
SMILESCc1ccn(-c2ccc(C(=O)NC(C)C)cn2)n1
InChIInChI=1S/C13H16N4O/c1-9(2)15-13(18)11-4-5-12(14-8-11)17-7-6-10(3)16-17/h4-9H,1-3H3,(H,15,18)
InChIKeyFYDBTQDTWDUKNY-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.71
Rot. Bonds3

About 6-(3-methylpyrazol-1-yl)-N-propan-2-ylpyridine-3-carboxamide

6-(3-methylpyrazol-1-yl)-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 53014458) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 6-(3-methylpyrazol-1-yl)-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-methylpyrazol-1-yl)-N-propan-2-ylpyridine-3-carboxamide
PubChem CID53014458
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name6-(3-methylpyrazol-1-yl)-N-propan-2-ylpyridine-3-carboxamide
SMILESCc1ccn(-c2ccc(C(=O)NC(C)C)cn2)n1
InChIInChI=1S/C13H16N4O/c1-9(2)15-13(18)11-4-5-12(14-8-11)17-7-6-10(3)16-17/h4-9H,1-3H3,(H,15,18)
InChIKeyFYDBTQDTWDUKNY-UHFFFAOYSA-N
XLogP1.71
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methylpyrazol-1-yl)-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 6-(3-methylpyrazol-1-yl)-N-propan-2-ylpyridine-3-carboxamide (CID 53014458) is 6-(3-methylpyrazol-1-yl)-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-(3-methylpyrazol-1-yl)-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 6-(3-methylpyrazol-1-yl)-N-propan-2-ylpyridine-3-carboxamide is Cc1ccn(-c2ccc(C(=O)NC(C)C)cn2)n1.
What is the InChIKey of 6-(3-methylpyrazol-1-yl)-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is FYDBTQDTWDUKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9(2)15-13(18)11-4-5-12(14-8-11)17-7-6-10(3)16-17/h4-9H,1-3H3,(H,15,18).
What are the key properties of 6-(3-methylpyrazol-1-yl)-N-propan-2-ylpyridine-3-carboxamide?
6-(3-methylpyrazol-1-yl)-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylpyrazol-1-yl)-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 53014458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).