2-chloro-N-cyclopropyl-N-ethyl-6-(propylamino)pyridine-4-carboxamide

C14H20ClN3O — CID 62168778

IUPAC2-chloro-N-cyclopropyl-N-ethyl-6-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)N(CC)C2CC2)cc(Cl)n1
InChIInChI=1S/C14H20ClN3O/c1-3-7-16-13-9-10(8-12(15)17-13)14(19)18(4-2)11-5-6-11/h8-9,11H,3-7H2,1-2H3,(H,16,17)
InChIKeyXHLSMADZIPSNNB-UHFFFAOYSA-N
MW281.79 g/mol
LogP3.18
Rot. Bonds6

About 2-chloro-N-cyclopropyl-N-ethyl-6-(propylamino)pyridine-4-carboxamide

2-chloro-N-cyclopropyl-N-ethyl-6-(propylamino)pyridine-4-carboxamide (PubChem CID 62168778) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-N-ethyl-6-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-N-ethyl-6-(propylamino)pyridine-4-carboxamide
PubChem CID62168778
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name2-chloro-N-cyclopropyl-N-ethyl-6-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)N(CC)C2CC2)cc(Cl)n1
InChIInChI=1S/C14H20ClN3O/c1-3-7-16-13-9-10(8-12(15)17-13)14(19)18(4-2)11-5-6-11/h8-9,11H,3-7H2,1-2H3,(H,16,17)
InChIKeyXHLSMADZIPSNNB-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-6-(ethylamino)-N-propylpyridine-4-carboxamide
CID 62169478
2-chloro-N-cyclohexyl-N-ethyl-6-hydrazinylpyridine-4-carboxamide
CID 62248666
2-chloro-N,N-bis(cyanomethyl)-6-(propylamino)pyridine-4-carboxamide
CID 62184912
2-chloro-N-methyl-6-(propylamino)pyridine-4-carboxamide
CID 62171490
2-chloro-N-methyl-N-phenyl-6-(propylamino)pyridine-4-carboxamide
CID 62172549
5-chloro-N-cyclopropyl-N-ethyl-6-(propylamino)pyridine-3-carboxamide
CID 62169292
2-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-6-(methylamino)pyridine-4-carboxamide
CID 62177130
2-chloro-6-(propylamino)-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide
CID 107298139
2-chloro-N-(2-methylsulfanylethyl)-6-(propylamino)pyridine-4-carboxamide
CID 63963791
2-chloro-N-(3-ethylpentan-3-yl)-6-(propylamino)pyridine-4-carboxamide
CID 65042532
2-chloro-6-(propylamino)pyridine-4-carbonyl azide
CID 90872001

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-N-ethyl-6-(propylamino)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-cyclopropyl-N-ethyl-6-(propylamino)pyridine-4-carboxamide (CID 62168778) is 2-chloro-N-cyclopropyl-N-ethyl-6-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-N-ethyl-6-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-N-ethyl-6-(propylamino)pyridine-4-carboxamide is CCCNc1cc(C(=O)N(CC)C2CC2)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-cyclopropyl-N-ethyl-6-(propylamino)pyridine-4-carboxamide?
The InChIKey is XHLSMADZIPSNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-3-7-16-13-9-10(8-12(15)17-13)14(19)18(4-2)11-5-6-11/h8-9,11H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 2-chloro-N-cyclopropyl-N-ethyl-6-(propylamino)pyridine-4-carboxamide?
2-chloro-N-cyclopropyl-N-ethyl-6-(propylamino)pyridine-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-N-ethyl-6-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 62168778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).