4-chloro-N,N-dimethyl-3-(pyridin-4-ylmethylamino)benzamide

C15H16ClN3O — CID 43738745

IUPAC4-chloro-N,N-dimethyl-3-(pyridin-4-ylmethylamino)benzamide
SMILESCN(C)C(=O)c1ccc(Cl)c(NCc2ccncc2)c1
InChIInChI=1S/C15H16ClN3O/c1-19(2)15(20)12-3-4-13(16)14(9-12)18-10-11-5-7-17-8-6-11/h3-9,18H,10H2,1-2H3
InChIKeyCILVTOIVQWCYRD-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.05
Rot. Bonds4

About 4-chloro-N,N-dimethyl-3-(pyridin-4-ylmethylamino)benzamide

4-chloro-N,N-dimethyl-3-(pyridin-4-ylmethylamino)benzamide (PubChem CID 43738745) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 4-chloro-N,N-dimethyl-3-(pyridin-4-ylmethylamino)benzamide.

Molecular Properties

Compound Name4-chloro-N,N-dimethyl-3-(pyridin-4-ylmethylamino)benzamide
PubChem CID43738745
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name4-chloro-N,N-dimethyl-3-(pyridin-4-ylmethylamino)benzamide
SMILESCN(C)C(=O)c1ccc(Cl)c(NCc2ccncc2)c1
InChIInChI=1S/C15H16ClN3O/c1-19(2)15(20)12-3-4-13(16)14(9-12)18-10-11-5-7-17-8-6-11/h3-9,18H,10H2,1-2H3
InChIKeyCILVTOIVQWCYRD-UHFFFAOYSA-N
XLogP3.05
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-[(4-fluorophenyl)methylamino]-N,N-dimethylbenzamide
CID 43738722
4-chloro-3-(pyridin-4-ylmethylamino)benzoic acid
CID 6471733
4-chloro-3-[(3-chlorophenyl)methylamino]-N,N-dimethylbenzamide
CID 43738770
4-chloro-3-[(3-fluorophenyl)methylamino]-N,N-dimethylbenzamide
CID 43738724
4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]-N,N-dimethylbenzamide
CID 79419901
4-amino-3-[(4-chlorophenyl)methylamino]-N,N-dimethylbenzamide
CID 63361074
4-chloro-N,N-dimethyl-3-(pentylamino)benzamide
CID 43738706
3-amino-4-[(4-chlorophenyl)methylamino]-N,N-dimethylbenzamide
CID 82991282
4-chloro-3-[(4-methylphenyl)methylamino]benzoic acid
CID 17058925
4-chloro-N,N-dimethyl-3-(pentan-3-ylamino)benzamide
CID 43738776
N,N,1-trimethyl-3-(pyridin-4-ylmethylamino)pyrrole-2-carboxamide
CID 82027109
3-amino-N,N-diethyl-4-(pyridin-4-ylmethylamino)benzamide
CID 22181353

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dimethyl-3-(pyridin-4-ylmethylamino)benzamide?
The IUPAC name of 4-chloro-N,N-dimethyl-3-(pyridin-4-ylmethylamino)benzamide (CID 43738745) is 4-chloro-N,N-dimethyl-3-(pyridin-4-ylmethylamino)benzamide.
What is the SMILES notation for 4-chloro-N,N-dimethyl-3-(pyridin-4-ylmethylamino)benzamide?
The canonical SMILES for 4-chloro-N,N-dimethyl-3-(pyridin-4-ylmethylamino)benzamide is CN(C)C(=O)c1ccc(Cl)c(NCc2ccncc2)c1.
What is the InChIKey of 4-chloro-N,N-dimethyl-3-(pyridin-4-ylmethylamino)benzamide?
The InChIKey is CILVTOIVQWCYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-19(2)15(20)12-3-4-13(16)14(9-12)18-10-11-5-7-17-8-6-11/h3-9,18H,10H2,1-2H3.
What are the key properties of 4-chloro-N,N-dimethyl-3-(pyridin-4-ylmethylamino)benzamide?
4-chloro-N,N-dimethyl-3-(pyridin-4-ylmethylamino)benzamide has a molecular weight of 289.77 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-dimethyl-3-(pyridin-4-ylmethylamino)benzamide is sourced from PubChem (CID 43738745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).