N-(2-bicyclo[2.2.1]heptanyl)-4-chloro-6-methylpyridine-3-carboxamide

C14H17ClN2O — CID 81232589

IUPACN-(2-bicyclo[2.2.1]heptanyl)-4-chloro-6-methylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)NC2CC3CCC2C3)cn1
InChIInChI=1S/C14H17ClN2O/c1-8-4-12(15)11(7-16-8)14(18)17-13-6-9-2-3-10(13)5-9/h4,7,9-10,13H,2-3,5-6H2,1H3,(H,17,18)
InChIKeyQYPBNMKGJBATCQ-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.96
Rot. Bonds2

About N-(2-bicyclo[2.2.1]heptanyl)-4-chloro-6-methylpyridine-3-carboxamide

N-(2-bicyclo[2.2.1]heptanyl)-4-chloro-6-methylpyridine-3-carboxamide (PubChem CID 81232589) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-4-chloro-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-4-chloro-6-methylpyridine-3-carboxamide
PubChem CID81232589
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-4-chloro-6-methylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)NC2CC3CCC2C3)cn1
InChIInChI=1S/C14H17ClN2O/c1-8-4-12(15)11(7-16-8)14(18)17-13-6-9-2-3-10(13)5-9/h4,7,9-10,13H,2-3,5-6H2,1H3,(H,17,18)
InChIKeyQYPBNMKGJBATCQ-UHFFFAOYSA-N
XLogP2.96
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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 N-(2-bicyclo[2.2.1]heptanyl)-4-chloro-6-methylpyridine-3-carboxamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-4-chloro-6-methylpyridine-3-carboxamide (CID 81232589) is N-(2-bicyclo[2.2.1]heptanyl)-4-chloro-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-4-chloro-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-4-chloro-6-methylpyridine-3-carboxamide is Cc1cc(Cl)c(C(=O)NC2CC3CCC2C3)cn1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-4-chloro-6-methylpyridine-3-carboxamide?
The InChIKey is QYPBNMKGJBATCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-8-4-12(15)11(7-16-8)14(18)17-13-6-9-2-3-10(13)5-9/h4,7,9-10,13H,2-3,5-6H2,1H3,(H,17,18).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-4-chloro-6-methylpyridine-3-carboxamide?
N-(2-bicyclo[2.2.1]heptanyl)-4-chloro-6-methylpyridine-3-carboxamide has a molecular weight of 264.76 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-4-chloro-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 81232589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).