2-chloro-N-(cyclobutylmethyl)-6-(ethylamino)-N-methylpyridine-4-carboxamide

C14H20ClN3O — CID 62855903

IUPAC2-chloro-N-(cyclobutylmethyl)-6-(ethylamino)-N-methylpyridine-4-carboxamide
SMILESCCNc1cc(C(=O)N(C)CC2CCC2)cc(Cl)n1
InChIInChI=1S/C14H20ClN3O/c1-3-16-13-8-11(7-12(15)17-13)14(19)18(2)9-10-5-4-6-10/h7-8,10H,3-6,9H2,1-2H3,(H,16,17)
InChIKeyWRWPOEQUOVAGCK-UHFFFAOYSA-N
MW281.79 g/mol
LogP3.04
Rot. Bonds5

About 2-chloro-N-(cyclobutylmethyl)-6-(ethylamino)-N-methylpyridine-4-carboxamide

2-chloro-N-(cyclobutylmethyl)-6-(ethylamino)-N-methylpyridine-4-carboxamide (PubChem CID 62855903) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 2-chloro-N-(cyclobutylmethyl)-6-(ethylamino)-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(cyclobutylmethyl)-6-(ethylamino)-N-methylpyridine-4-carboxamide
PubChem CID62855903
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name2-chloro-N-(cyclobutylmethyl)-6-(ethylamino)-N-methylpyridine-4-carboxamide
SMILESCCNc1cc(C(=O)N(C)CC2CCC2)cc(Cl)n1
InChIInChI=1S/C14H20ClN3O/c1-3-16-13-8-11(7-12(15)17-13)14(19)18(2)9-10-5-4-6-10/h7-8,10H,3-6,9H2,1-2H3,(H,16,17)
InChIKeyWRWPOEQUOVAGCK-UHFFFAOYSA-N
XLogP3.04
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 53.04
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-(cyclopentylmethyl)-6-(ethylamino)-N-methylpyridine-4-carboxamide
CID 63657981
2-chloro-6-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
CID 63274888
2-chloro-6-(ethylamino)-N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 62173680
2-chloro-N-cyclopentyl-N-ethyl-6-(ethylamino)pyridine-4-carboxamide
CID 62169890
2-chloro-6-(ethylamino)-N-methyl-N-(3-methylcyclohexyl)pyridine-4-carboxamide
CID 62179292
2-chloro-N-cyclopropyl-6-(ethylamino)-N-propylpyridine-4-carboxamide
CID 62169478
2-chloro-N-ethyl-6-(ethylamino)pyridine-4-carboxamide
CID 62172199
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylamino)-N-methylpyridine-4-carboxamide
CID 62179610
2-chloro-6-(ethylamino)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide
CID 64517367
2-chloro-6-(ethylamino)-N-methylpyridine-4-carboxamide
CID 62171489
2-amino-N-(cyclobutylmethyl)-6-ethyl-N-methylpyridine-4-carboxamide
CID 113381050
[2-chloro-6-(ethylamino)-4-pyridinyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66369750

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(cyclobutylmethyl)-6-(ethylamino)-N-methylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(cyclobutylmethyl)-6-(ethylamino)-N-methylpyridine-4-carboxamide (CID 62855903) is 2-chloro-N-(cyclobutylmethyl)-6-(ethylamino)-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(cyclobutylmethyl)-6-(ethylamino)-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(cyclobutylmethyl)-6-(ethylamino)-N-methylpyridine-4-carboxamide is CCNc1cc(C(=O)N(C)CC2CCC2)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-(cyclobutylmethyl)-6-(ethylamino)-N-methylpyridine-4-carboxamide?
The InChIKey is WRWPOEQUOVAGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-3-16-13-8-11(7-12(15)17-13)14(19)18(2)9-10-5-4-6-10/h7-8,10H,3-6,9H2,1-2H3,(H,16,17).
What are the key properties of 2-chloro-N-(cyclobutylmethyl)-6-(ethylamino)-N-methylpyridine-4-carboxamide?
2-chloro-N-(cyclobutylmethyl)-6-(ethylamino)-N-methylpyridine-4-carboxamide has a molecular weight of 281.79 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclobutylmethyl)-6-(ethylamino)-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 62855903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).