4-(chloromethyl)-N-[4-(dimethylamino)-3-pyridinyl]benzamide

C15H16ClN3O — CID 43697150

IUPAC4-(chloromethyl)-N-[4-(dimethylamino)-3-pyridinyl]benzamide
SMILESCN(C)c1ccncc1NC(=O)c1ccc(CCl)cc1
InChIInChI=1S/C15H16ClN3O/c1-19(2)14-7-8-17-10-13(14)18-15(20)12-5-3-11(9-16)4-6-12/h3-8,10H,9H2,1-2H3,(H,18,20)
InChIKeyXXAUZWVZGRCLKW-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.14
Rot. Bonds4

About 4-(chloromethyl)-N-[4-(dimethylamino)-3-pyridinyl]benzamide

4-(chloromethyl)-N-[4-(dimethylamino)-3-pyridinyl]benzamide (PubChem CID 43697150) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 4-(chloromethyl)-N-[4-(dimethylamino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-[4-(dimethylamino)-3-pyridinyl]benzamide
PubChem CID43697150
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name4-(chloromethyl)-N-[4-(dimethylamino)-3-pyridinyl]benzamide
SMILESCN(C)c1ccncc1NC(=O)c1ccc(CCl)cc1
InChIInChI=1S/C15H16ClN3O/c1-19(2)14-7-8-17-10-13(14)18-15(20)12-5-3-11(9-16)4-6-12/h3-8,10H,9H2,1-2H3,(H,18,20)
InChIKeyXXAUZWVZGRCLKW-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[4-(dimethylamino)-3-pyridinyl]benzamide
CID 63319086
N-[4-(dimethylamino)-3-pyridinyl]-2H-triazole-4-carboxamide
CID 78941969
4-(chloromethyl)-N-[2-(dimethylamino)-3-pyridinyl]benzamide
CID 43698922
4-amino-N-[4-(dimethylamino)-3-pyridinyl]-3-fluorobenzamide
CID 63187716
N-[4-(dimethylamino)-3-pyridinyl]-1H-indole-6-carboxamide
CID 63318987
N-[4-(dimethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 63049052
6-chloro-N-[4-(dimethylamino)-3-pyridinyl]pyridine-2-carboxamide
CID 55052253
2-(aminomethyl)-N-[4-(dimethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 66376268
4-(chloromethyl)-N-[4-(dimethylamino)phenyl]benzamide
CID 43617033
4-(aminomethyl)-N-(4-methyl-3-pyridinyl)benzamide
CID 63326435
2,4-dibromo-N-[4-(dimethylamino)-3-pyridinyl]benzamide
CID 103885438
2-bromo-N-[4-(dimethylamino)-3-pyridinyl]propanamide
CID 107903618

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-[4-(dimethylamino)-3-pyridinyl]benzamide?
The IUPAC name of 4-(chloromethyl)-N-[4-(dimethylamino)-3-pyridinyl]benzamide (CID 43697150) is 4-(chloromethyl)-N-[4-(dimethylamino)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-(chloromethyl)-N-[4-(dimethylamino)-3-pyridinyl]benzamide?
The canonical SMILES for 4-(chloromethyl)-N-[4-(dimethylamino)-3-pyridinyl]benzamide is CN(C)c1ccncc1NC(=O)c1ccc(CCl)cc1.
What is the InChIKey of 4-(chloromethyl)-N-[4-(dimethylamino)-3-pyridinyl]benzamide?
The InChIKey is XXAUZWVZGRCLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-19(2)14-7-8-17-10-13(14)18-15(20)12-5-3-11(9-16)4-6-12/h3-8,10H,9H2,1-2H3,(H,18,20).
What are the key properties of 4-(chloromethyl)-N-[4-(dimethylamino)-3-pyridinyl]benzamide?
4-(chloromethyl)-N-[4-(dimethylamino)-3-pyridinyl]benzamide has a molecular weight of 289.77 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-[4-(dimethylamino)-3-pyridinyl]benzamide is sourced from PubChem (CID 43697150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).