2-chloro-N-cyclopropyl-6-(ethylamino)-N-propylpyridine-4-carboxamide

C14H20ClN3O — CID 62169478

IUPAC2-chloro-N-cyclopropyl-6-(ethylamino)-N-propylpyridine-4-carboxamide
SMILESCCCN(C(=O)c1cc(Cl)nc(NCC)c1)C1CC1
InChIInChI=1S/C14H20ClN3O/c1-3-7-18(11-5-6-11)14(19)10-8-12(15)17-13(9-10)16-4-2/h8-9,11H,3-7H2,1-2H3,(H,16,17)
InChIKeyRTRONKPVOYGJIN-UHFFFAOYSA-N
MW281.79 g/mol
LogP3.18
Rot. Bonds6

About 2-chloro-N-cyclopropyl-6-(ethylamino)-N-propylpyridine-4-carboxamide

2-chloro-N-cyclopropyl-6-(ethylamino)-N-propylpyridine-4-carboxamide (PubChem CID 62169478) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-6-(ethylamino)-N-propylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-6-(ethylamino)-N-propylpyridine-4-carboxamide
PubChem CID62169478
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name2-chloro-N-cyclopropyl-6-(ethylamino)-N-propylpyridine-4-carboxamide
SMILESCCCN(C(=O)c1cc(Cl)nc(NCC)c1)C1CC1
InChIInChI=1S/C14H20ClN3O/c1-3-7-18(11-5-6-11)14(19)10-8-12(15)17-13(9-10)16-4-2/h8-9,11H,3-7H2,1-2H3,(H,16,17)
InChIKeyRTRONKPVOYGJIN-UHFFFAOYSA-N
XLogP3.18
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-cyclopentyl-N-ethyl-6-(ethylamino)pyridine-4-carboxamide
CID 62169890
2-chloro-N-cyclopropyl-N-ethyl-6-(propylamino)pyridine-4-carboxamide
CID 62168778
2-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-6-(methylamino)pyridine-4-carboxamide
CID 62177130
2-chloro-N-(cyclobutylmethyl)-6-(ethylamino)-N-methylpyridine-4-carboxamide
CID 62855903
2-chloro-N-(cyclopentylmethyl)-6-(ethylamino)-N-methylpyridine-4-carboxamide
CID 63657981
2-chloro-6-(ethylamino)-N-methyl-N-(3-methylcyclohexyl)pyridine-4-carboxamide
CID 62179292
2-chloro-N-ethyl-6-(ethylamino)pyridine-4-carboxamide
CID 62172199
2-chloro-6-(ethylamino)-N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 62173680
2-chloro-6-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
CID 63274888
2-chloro-N-cyclobutyl-6-hydrazinyl-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 102870600
2,6-dichloro-N-cyclopropyl-N-(3-methylbutyl)pyridine-4-carboxamide
CID 60782353
2-chloro-N-cyclohexyl-N-ethyl-6-hydrazinylpyridine-4-carboxamide
CID 62248666

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-6-(ethylamino)-N-propylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-cyclopropyl-6-(ethylamino)-N-propylpyridine-4-carboxamide (CID 62169478) is 2-chloro-N-cyclopropyl-6-(ethylamino)-N-propylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-6-(ethylamino)-N-propylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-6-(ethylamino)-N-propylpyridine-4-carboxamide is CCCN(C(=O)c1cc(Cl)nc(NCC)c1)C1CC1.
What is the InChIKey of 2-chloro-N-cyclopropyl-6-(ethylamino)-N-propylpyridine-4-carboxamide?
The InChIKey is RTRONKPVOYGJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-3-7-18(11-5-6-11)14(19)10-8-12(15)17-13(9-10)16-4-2/h8-9,11H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 2-chloro-N-cyclopropyl-6-(ethylamino)-N-propylpyridine-4-carboxamide?
2-chloro-N-cyclopropyl-6-(ethylamino)-N-propylpyridine-4-carboxamide has a molecular weight of 281.79 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-6-(ethylamino)-N-propylpyridine-4-carboxamide is sourced from PubChem (CID 62169478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).