5-chloro-6-[cyclopentylmethyl(methyl)amino]pyridine-3-carboxamide

C13H18ClN3O — CID 75418381

IUPAC5-chloro-6-[cyclopentylmethyl(methyl)amino]pyridine-3-carboxamide
SMILESCN(CC1CCCC1)c1ncc(C(N)=O)cc1Cl
InChIInChI=1S/C13H18ClN3O/c1-17(8-9-4-2-3-5-9)13-11(14)6-10(7-16-13)12(15)18/h6-7,9H,2-5,8H2,1H3,(H2,15,18)
InChIKeyLUNJARDPSJAFEQ-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.46
Rot. Bonds4

About 5-chloro-6-[cyclopentylmethyl(methyl)amino]pyridine-3-carboxamide

5-chloro-6-[cyclopentylmethyl(methyl)amino]pyridine-3-carboxamide (PubChem CID 75418381) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 5-chloro-6-[cyclopentylmethyl(methyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[cyclopentylmethyl(methyl)amino]pyridine-3-carboxamide
PubChem CID75418381
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name5-chloro-6-[cyclopentylmethyl(methyl)amino]pyridine-3-carboxamide
SMILESCN(CC1CCCC1)c1ncc(C(N)=O)cc1Cl
InChIInChI=1S/C13H18ClN3O/c1-17(8-9-4-2-3-5-9)13-11(14)6-10(7-16-13)12(15)18/h6-7,9H,2-5,8H2,1H3,(H2,15,18)
InChIKeyLUNJARDPSJAFEQ-UHFFFAOYSA-N
XLogP2.46
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[cyclopentylmethyl(methyl)amino]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[cyclopentylmethyl(methyl)amino]pyridine-3-carboxamide (CID 75418381) is 5-chloro-6-[cyclopentylmethyl(methyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[cyclopentylmethyl(methyl)amino]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[cyclopentylmethyl(methyl)amino]pyridine-3-carboxamide is CN(CC1CCCC1)c1ncc(C(N)=O)cc1Cl.
What is the InChIKey of 5-chloro-6-[cyclopentylmethyl(methyl)amino]pyridine-3-carboxamide?
The InChIKey is LUNJARDPSJAFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-17(8-9-4-2-3-5-9)13-11(14)6-10(7-16-13)12(15)18/h6-7,9H,2-5,8H2,1H3,(H2,15,18).
What are the key properties of 5-chloro-6-[cyclopentylmethyl(methyl)amino]pyridine-3-carboxamide?
5-chloro-6-[cyclopentylmethyl(methyl)amino]pyridine-3-carboxamide has a molecular weight of 267.76 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[cyclopentylmethyl(methyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 75418381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).