4-chloro-N-[3-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide

C15H16ClN3O — CID 81227089

IUPAC4-chloro-N-[3-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide
SMILESCN(C)Cc1cccc(NC(=O)c2cnccc2Cl)c1
InChIInChI=1S/C15H16ClN3O/c1-19(2)10-11-4-3-5-12(8-11)18-15(20)13-9-17-7-6-14(13)16/h3-9H,10H2,1-2H3,(H,18,20)
InChIKeyWPLJASPYJJZPQD-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.05
Rot. Bonds4

About 4-chloro-N-[3-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide

4-chloro-N-[3-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide (PubChem CID 81227089) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 4-chloro-N-[3-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[3-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide
PubChem CID81227089
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name4-chloro-N-[3-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide
SMILESCN(C)Cc1cccc(NC(=O)c2cnccc2Cl)c1
InChIInChI=1S/C15H16ClN3O/c1-19(2)10-11-4-3-5-12(8-11)18-15(20)13-9-17-7-6-14(13)16/h3-9H,10H2,1-2H3,(H,18,20)
InChIKeyWPLJASPYJJZPQD-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

2,5-dichloro-N-[3-[(dimethylamino)methyl]phenyl]pyridine-4-carboxamide
CID 114917751
4-chloro-N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide
CID 81227235
4-chloro-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 81225135
N-[3-[(dimethylamino)methyl]phenyl]-5-hydroxypyridine-3-carboxamide
CID 63860097
N-[3-[(dimethylamino)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 86931949
3-(chloromethyl)-N-[3-[(dimethylamino)methyl]phenyl]benzamide
CID 43697953
4-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]benzoic acid
CID 54173782
N-[3-[(dimethylamino)methyl]phenyl]pyrido[2,3-b]pyrazine-7-carboxamide
CID 166212160
4-chloro-N-[4-(dimethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 81229781
N-[3-[(dimethylamino)methyl]phenyl]-2-(3-fluoroanilino)pyridine-3-carboxamide
CID 51119906
3-[3-[(dimethylamino)methyl]phenyl]-1-(2-hydroxyethyl)-1-(pyridin-3-ylmethyl)urea
CID 111102179
methyl 4-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]benzoate
CID 54326665

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-[3-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide (CID 81227089) is 4-chloro-N-[3-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[3-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-[3-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide is CN(C)Cc1cccc(NC(=O)c2cnccc2Cl)c1.
What is the InChIKey of 4-chloro-N-[3-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is WPLJASPYJJZPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-19(2)10-11-4-3-5-12(8-11)18-15(20)13-9-17-7-6-14(13)16/h3-9H,10H2,1-2H3,(H,18,20).
What are the key properties of 4-chloro-N-[3-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide?
4-chloro-N-[3-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide 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-[3-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 81227089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).