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

C11H13ClN2O — CID 81225290

IUPAC4-chloro-N-(cyclopropylmethyl)-6-methylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)NCC2CC2)cn1
InChIInChI=1S/C11H13ClN2O/c1-7-4-10(12)9(6-13-7)11(15)14-5-8-2-3-8/h4,6,8H,2-3,5H2,1H3,(H,14,15)
InChIKeyRANMPNPTTFSBAB-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.18
Rot. Bonds3

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

4-chloro-N-(cyclopropylmethyl)-6-methylpyridine-3-carboxamide (PubChem CID 81225290) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 4-chloro-N-(cyclopropylmethyl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(cyclopropylmethyl)-6-methylpyridine-3-carboxamide
PubChem CID81225290
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name4-chloro-N-(cyclopropylmethyl)-6-methylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)NCC2CC2)cn1
InChIInChI=1S/C11H13ClN2O/c1-7-4-10(12)9(6-13-7)11(15)14-5-8-2-3-8/h4,6,8H,2-3,5H2,1H3,(H,14,15)
InChIKeyRANMPNPTTFSBAB-UHFFFAOYSA-N
XLogP2.18
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(cyclopropylmethyl)-6-methylpyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-(cyclopropylmethyl)-6-methylpyridine-3-carboxamide (CID 81225290) is 4-chloro-N-(cyclopropylmethyl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(cyclopropylmethyl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-(cyclopropylmethyl)-6-methylpyridine-3-carboxamide is Cc1cc(Cl)c(C(=O)NCC2CC2)cn1.
What is the InChIKey of 4-chloro-N-(cyclopropylmethyl)-6-methylpyridine-3-carboxamide?
The InChIKey is RANMPNPTTFSBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-7-4-10(12)9(6-13-7)11(15)14-5-8-2-3-8/h4,6,8H,2-3,5H2,1H3,(H,14,15).
What are the key properties of 4-chloro-N-(cyclopropylmethyl)-6-methylpyridine-3-carboxamide?
4-chloro-N-(cyclopropylmethyl)-6-methylpyridine-3-carboxamide has a molecular weight of 224.69 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(cyclopropylmethyl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 81225290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).