6-cyclopropyl-N-propan-2-ylpyridine-3-carboxamide

C12H16N2O — CID 121261417

IUPAC6-cyclopropyl-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)NC(=O)c1ccc(C2CC2)nc1
InChIInChI=1S/C12H16N2O/c1-8(2)14-12(15)10-5-6-11(13-7-10)9-3-4-9/h5-9H,3-4H2,1-2H3,(H,14,15)
InChIKeyRVRLLFJSSRRPMJ-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.10
Rot. Bonds3

About 6-cyclopropyl-N-propan-2-ylpyridine-3-carboxamide

6-cyclopropyl-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 121261417) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 6-cyclopropyl-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-propan-2-ylpyridine-3-carboxamide
PubChem CID121261417
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name6-cyclopropyl-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)NC(=O)c1ccc(C2CC2)nc1
InChIInChI=1S/C12H16N2O/c1-8(2)14-12(15)10-5-6-11(13-7-10)9-3-4-9/h5-9H,3-4H2,1-2H3,(H,14,15)
InChIKeyRVRLLFJSSRRPMJ-UHFFFAOYSA-N
XLogP2.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 6-cyclopropyl-N-propan-2-ylpyridine-3-carboxamide (CID 121261417) is 6-cyclopropyl-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-propan-2-ylpyridine-3-carboxamide is CC(C)NC(=O)c1ccc(C2CC2)nc1.
What is the InChIKey of 6-cyclopropyl-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is RVRLLFJSSRRPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8(2)14-12(15)10-5-6-11(13-7-10)9-3-4-9/h5-9H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 6-cyclopropyl-N-propan-2-ylpyridine-3-carboxamide?
6-cyclopropyl-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 204.27 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 121261417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).