2-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-4-carboxamide

C14H22ClN3O — CID 61053425

IUPAC2-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-4-carboxamide
SMILESCC(C)CN(CCN(C)C)C(=O)c1ccnc(Cl)c1
InChIInChI=1S/C14H22ClN3O/c1-11(2)10-18(8-7-17(3)4)14(19)12-5-6-16-13(15)9-12/h5-6,9,11H,7-8,10H2,1-4H3
InChIKeyQQIRMOVYXBGTLO-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.39
Rot. Bonds6

About 2-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-4-carboxamide

2-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-4-carboxamide (PubChem CID 61053425) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-4-carboxamide
PubChem CID61053425
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name2-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-4-carboxamide
SMILESCC(C)CN(CCN(C)C)C(=O)c1ccnc(Cl)c1
InChIInChI=1S/C14H22ClN3O/c1-11(2)10-18(8-7-17(3)4)14(19)12-5-6-16-13(15)9-12/h5-6,9,11H,7-8,10H2,1-4H3
InChIKeyQQIRMOVYXBGTLO-UHFFFAOYSA-N
XLogP2.39
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114917935
N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103763054
2-chloro-N-cyclopropyl-N-(2-methylpropyl)pyridine-4-carboxamide
CID 60749864
2-chloro-N,N-dipentylpyridine-4-carboxamide
CID 60776125
4-amino-N-[2-(dimethylamino)ethyl]-3-methyl-N-(2-methylpropyl)benzamide
CID 60954175
3,5-diamino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzamide
CID 61116865
2-chloro-N-methyl-N-pentan-2-ylpyridine-4-carboxamide
CID 43430188
N-ethyl-2-fluoro-N-(2-methylpropyl)pyridine-4-carboxamide
CID 61293621
N-[2-(dimethylamino)ethyl]-3,4,5-trifluoro-N-(2-methylpropyl)benzamide
CID 63188458
2-chloro-N-ethyl-N-(2-phenylethyl)pyridine-4-carboxamide
CID 60738878
N'-[(2-chloro-4-pyridinyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62472378
methyl (2R)-3-[(2-chloropyridine-4-carbonyl)-(3-ethoxypropyl)amino]-2-methylpropanoate
CID 95627920

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-4-carboxamide (CID 61053425) is 2-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-4-carboxamide is CC(C)CN(CCN(C)C)C(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-4-carboxamide?
The InChIKey is QQIRMOVYXBGTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-11(2)10-18(8-7-17(3)4)14(19)12-5-6-16-13(15)9-12/h5-6,9,11H,7-8,10H2,1-4H3.
What are the key properties of 2-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-4-carboxamide?
2-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-4-carboxamide has a molecular weight of 283.80 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 61053425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).