5-chloro-N-(2-cyclopentyloxyethyl)-6-(methylamino)pyridine-3-carboxamide

C14H20ClN3O2 — CID 63834843

IUPAC5-chloro-N-(2-cyclopentyloxyethyl)-6-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncc(C(=O)NCCOC2CCCC2)cc1Cl
InChIInChI=1S/C14H20ClN3O2/c1-16-13-12(15)8-10(9-18-13)14(19)17-6-7-20-11-4-2-3-5-11/h8-9,11H,2-7H2,1H3,(H,16,18)(H,17,19)
InChIKeyVQWJTWGNDFCCSM-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.47
Rot. Bonds6

About 5-chloro-N-(2-cyclopentyloxyethyl)-6-(methylamino)pyridine-3-carboxamide

5-chloro-N-(2-cyclopentyloxyethyl)-6-(methylamino)pyridine-3-carboxamide (PubChem CID 63834843) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 5-chloro-N-(2-cyclopentyloxyethyl)-6-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-cyclopentyloxyethyl)-6-(methylamino)pyridine-3-carboxamide
PubChem CID63834843
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name5-chloro-N-(2-cyclopentyloxyethyl)-6-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncc(C(=O)NCCOC2CCCC2)cc1Cl
InChIInChI=1S/C14H20ClN3O2/c1-16-13-12(15)8-10(9-18-13)14(19)17-6-7-20-11-4-2-3-5-11/h8-9,11H,2-7H2,1H3,(H,16,18)(H,17,19)
InChIKeyVQWJTWGNDFCCSM-UHFFFAOYSA-N
XLogP2.47
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[5-chloro-6-(methylamino)pyridine-3-carbonyl]amino]ethyl carbamate
CID 83215751
4-amino-3,5-dichloro-N-(2-cyclopentyloxyethyl)benzamide
CID 82833373
N-(2-cyclohexyloxyethyl)-2-(methylamino)pyridine-4-carboxamide
CID 63834324
N-(2-cyclopentyloxyethyl)-3,5-dihydroxybenzamide
CID 104938884
2-chloro-N-(2-cyclopentyloxyethyl)-6-methylpyridine-4-carboxamide
CID 113378437
5-chloro-N-(2-hydroxycyclohexyl)-6-(methylamino)pyridine-3-carboxamide
CID 55063853
5-chloro-6-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide
CID 63963372
5-chloro-N-(2-cycloheptyloxyethyl)pyrimidine-4-carboxamide
CID 99775439
5-chloro-N-(3-methoxycyclobutyl)-6-(methylamino)pyridine-3-carboxamide
CID 114120797
5-chloro-6-(methylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-carboxamide
CID 62175962
5-chloro-6-(methylamino)-N-(4-methylcyclohexyl)pyridine-3-carboxamide
CID 55042305
3,5-dichloro-N-(2-cyclopentyloxyethyl)pyridin-2-amine
CID 55261073

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-cyclopentyloxyethyl)-6-(methylamino)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-(2-cyclopentyloxyethyl)-6-(methylamino)pyridine-3-carboxamide (CID 63834843) is 5-chloro-N-(2-cyclopentyloxyethyl)-6-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-cyclopentyloxyethyl)-6-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-(2-cyclopentyloxyethyl)-6-(methylamino)pyridine-3-carboxamide is CNc1ncc(C(=O)NCCOC2CCCC2)cc1Cl.
What is the InChIKey of 5-chloro-N-(2-cyclopentyloxyethyl)-6-(methylamino)pyridine-3-carboxamide?
The InChIKey is VQWJTWGNDFCCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-16-13-12(15)8-10(9-18-13)14(19)17-6-7-20-11-4-2-3-5-11/h8-9,11H,2-7H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 5-chloro-N-(2-cyclopentyloxyethyl)-6-(methylamino)pyridine-3-carboxamide?
5-chloro-N-(2-cyclopentyloxyethyl)-6-(methylamino)pyridine-3-carboxamide has a molecular weight of 297.79 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-cyclopentyloxyethyl)-6-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 63834843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).