2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridine-4-carboxamide

C14H20ClN3O — CID 105416236

IUPAC2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridine-4-carboxamide
SMILESCN(CC1(N(C)C)CCC1)C(=O)c1ccnc(Cl)c1
InChIInChI=1S/C14H20ClN3O/c1-17(2)14(6-4-7-14)10-18(3)13(19)11-5-8-16-12(15)9-11/h5,8-9H,4,6-7,10H2,1-3H3
InChIKeyVQHPUFUYRYAONP-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.29
Rot. Bonds4

About 2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridine-4-carboxamide

2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridine-4-carboxamide (PubChem CID 105416236) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridine-4-carboxamide
PubChem CID105416236
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridine-4-carboxamide
SMILESCN(CC1(N(C)C)CCC1)C(=O)c1ccnc(Cl)c1
InChIInChI=1S/C14H20ClN3O/c1-17(2)14(6-4-7-14)10-18(3)13(19)11-5-8-16-12(15)9-11/h5,8-9H,4,6-7,10H2,1-3H3
InChIKeyVQHPUFUYRYAONP-UHFFFAOYSA-N
XLogP2.29
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.29
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-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-4-carboxamide
CID 60707021
4-amino-3-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzamide
CID 105417543
N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethyl-4-(methylamino)benzamide
CID 105420406
4-carbamothioyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzamide
CID 105418027
2-chloro-N-(2-hydroxycyclohexyl)-N-methylpyridine-4-carboxamide
CID 102631830
5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylthiophene-3-carboxamide
CID 105418295
N-[[1-(dimethylamino)cyclobutyl]methyl]-3-fluoro-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 105420387
2-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide
CID 60692943
2-chloro-N-[(1-ethylcyclobutyl)methyl]pyridine-4-carboxamide
CID 103741389
4-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid
CID 114951144
5-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]thiophene-2-carboxylic acid
CID 105420013
2-chloro-N-methyl-N-pentan-2-ylpyridine-4-carboxamide
CID 43430188

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridine-4-carboxamide (CID 105416236) is 2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridine-4-carboxamide is CN(CC1(N(C)C)CCC1)C(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridine-4-carboxamide?
The InChIKey is VQHPUFUYRYAONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-17(2)14(6-4-7-14)10-18(3)13(19)11-5-8-16-12(15)9-11/h5,8-9H,4,6-7,10H2,1-3H3.
What are the key properties of 2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridine-4-carboxamide?
2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridine-4-carboxamide has a molecular weight of 281.79 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 105416236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).