4-chloro-N-(dicyclopropylmethyl)-6-methylpyridine-3-carboxamide

C14H17ClN2O — CID 81226364

IUPAC4-chloro-N-(dicyclopropylmethyl)-6-methylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)NC(C2CC2)C2CC2)cn1
InChIInChI=1S/C14H17ClN2O/c1-8-6-12(15)11(7-16-8)14(18)17-13(9-2-3-9)10-4-5-10/h6-7,9-10,13H,2-5H2,1H3,(H,17,18)
InChIKeyZUBBYTKWGVDDOR-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.96
Rot. Bonds4

About 4-chloro-N-(dicyclopropylmethyl)-6-methylpyridine-3-carboxamide

4-chloro-N-(dicyclopropylmethyl)-6-methylpyridine-3-carboxamide (PubChem CID 81226364) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 4-chloro-N-(dicyclopropylmethyl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(dicyclopropylmethyl)-6-methylpyridine-3-carboxamide
PubChem CID81226364
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name4-chloro-N-(dicyclopropylmethyl)-6-methylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)NC(C2CC2)C2CC2)cn1
InChIInChI=1S/C14H17ClN2O/c1-8-6-12(15)11(7-16-8)14(18)17-13(9-2-3-9)10-4-5-10/h6-7,9-10,13H,2-5H2,1H3,(H,17,18)
InChIKeyZUBBYTKWGVDDOR-UHFFFAOYSA-N
XLogP2.96
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(dicyclopropylmethyl)-6-methylpyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-(dicyclopropylmethyl)-6-methylpyridine-3-carboxamide (CID 81226364) is 4-chloro-N-(dicyclopropylmethyl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(dicyclopropylmethyl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-(dicyclopropylmethyl)-6-methylpyridine-3-carboxamide is Cc1cc(Cl)c(C(=O)NC(C2CC2)C2CC2)cn1.
What is the InChIKey of 4-chloro-N-(dicyclopropylmethyl)-6-methylpyridine-3-carboxamide?
The InChIKey is ZUBBYTKWGVDDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-8-6-12(15)11(7-16-8)14(18)17-13(9-2-3-9)10-4-5-10/h6-7,9-10,13H,2-5H2,1H3,(H,17,18).
What are the key properties of 4-chloro-N-(dicyclopropylmethyl)-6-methylpyridine-3-carboxamide?
4-chloro-N-(dicyclopropylmethyl)-6-methylpyridine-3-carboxamide has a molecular weight of 264.76 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(dicyclopropylmethyl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 81226364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).