5-chloro-6-[[3-(dimethylamino)phenyl]methyl-methylamino]pyridine-3-carboxamide

C16H19ClN4O — CID 133385930

IUPAC5-chloro-6-[[3-(dimethylamino)phenyl]methyl-methylamino]pyridine-3-carboxamide
SMILESCN(C)c1cccc(CN(C)c2ncc(C(N)=O)cc2Cl)c1
InChIInChI=1S/C16H19ClN4O/c1-20(2)13-6-4-5-11(7-13)10-21(3)16-14(17)8-12(9-19-16)15(18)22/h4-9H,10H2,1-3H3,(H2,18,22)
InChIKeyQDACIWKKUOUDCF-UHFFFAOYSA-N
MW318.81 g/mol
LogP2.54
Rot. Bonds5

About 5-chloro-6-[[3-(dimethylamino)phenyl]methyl-methylamino]pyridine-3-carboxamide

5-chloro-6-[[3-(dimethylamino)phenyl]methyl-methylamino]pyridine-3-carboxamide (PubChem CID 133385930) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 5-chloro-6-[[3-(dimethylamino)phenyl]methyl-methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[[3-(dimethylamino)phenyl]methyl-methylamino]pyridine-3-carboxamide
PubChem CID133385930
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name5-chloro-6-[[3-(dimethylamino)phenyl]methyl-methylamino]pyridine-3-carboxamide
SMILESCN(C)c1cccc(CN(C)c2ncc(C(N)=O)cc2Cl)c1
InChIInChI=1S/C16H19ClN4O/c1-20(2)13-6-4-5-11(7-13)10-21(3)16-14(17)8-12(9-19-16)15(18)22/h4-9H,10H2,1-3H3,(H2,18,22)
InChIKeyQDACIWKKUOUDCF-UHFFFAOYSA-N
XLogP2.54
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-chloro-6-[[3-(dimethylamino)phenyl]methyl-methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133385820
6-[2-(4-bromophenyl)ethyl-methylamino]-5-chloropyridine-3-carboxamide
CID 133292141
5-chloro-6-[cyclopentylmethyl(methyl)amino]pyridine-3-carboxamide
CID 75418381
5-chloro-6-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]pyridine-3-carboxamide
CID 133294145
5-(aminomethyl)-3-chloro-N-methyl-N-[(3-methylphenyl)methyl]pyridin-2-amine
CID 62285878
2-N-benzyl-3-chloro-2-N-methylpyridine-2,5-diamine
CID 82480063
6-[[3-(dimethylamino)phenyl]methyl-methylamino]-N-prop-2-ynylpyridine-3-carboxamide
CID 133385812
6-[[3-(dimethylamino)phenyl]methyl-methylamino]-N-methylpyridazine-3-carboxamide
CID 133385755
5-amino-2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-3-carboxamide
CID 61413892
N,N-dimethyl-3-[(N-methylanilino)methyl]aniline
CID 99811191
3-[[(3,5-dichloro-2-pyridinyl)-methylamino]methyl]benzonitrile
CID 55025705
5-chloro-6-[3-(dimethylamino)anilino]pyridine-3-carboxylic acid
CID 115378021

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[[3-(dimethylamino)phenyl]methyl-methylamino]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[[3-(dimethylamino)phenyl]methyl-methylamino]pyridine-3-carboxamide (CID 133385930) is 5-chloro-6-[[3-(dimethylamino)phenyl]methyl-methylamino]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[[3-(dimethylamino)phenyl]methyl-methylamino]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[[3-(dimethylamino)phenyl]methyl-methylamino]pyridine-3-carboxamide is CN(C)c1cccc(CN(C)c2ncc(C(N)=O)cc2Cl)c1.
What is the InChIKey of 5-chloro-6-[[3-(dimethylamino)phenyl]methyl-methylamino]pyridine-3-carboxamide?
The InChIKey is QDACIWKKUOUDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-20(2)13-6-4-5-11(7-13)10-21(3)16-14(17)8-12(9-19-16)15(18)22/h4-9H,10H2,1-3H3,(H2,18,22).
What are the key properties of 5-chloro-6-[[3-(dimethylamino)phenyl]methyl-methylamino]pyridine-3-carboxamide?
5-chloro-6-[[3-(dimethylamino)phenyl]methyl-methylamino]pyridine-3-carboxamide has a molecular weight of 318.81 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[[3-(dimethylamino)phenyl]methyl-methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 133385930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).