4-chloro-N,6-dimethyl-N-[3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide

C12H16ClN3O2 — CID 113268050

IUPAC4-chloro-N,6-dimethyl-N-[3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide
SMILESCNC(=O)CCN(C)C(=O)c1cnc(C)cc1Cl
InChIInChI=1S/C12H16ClN3O2/c1-8-6-10(13)9(7-15-8)12(18)16(3)5-4-11(17)14-2/h6-7H,4-5H2,1-3H3,(H,14,17)
InChIKeyWRTVJTDLGPXIDH-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.25
Rot. Bonds4

About 4-chloro-N,6-dimethyl-N-[3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide

4-chloro-N,6-dimethyl-N-[3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide (PubChem CID 113268050) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 4-chloro-N,6-dimethyl-N-[3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N,6-dimethyl-N-[3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide
PubChem CID113268050
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name4-chloro-N,6-dimethyl-N-[3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide
SMILESCNC(=O)CCN(C)C(=O)c1cnc(C)cc1Cl
InChIInChI=1S/C12H16ClN3O2/c1-8-6-10(13)9(7-15-8)12(18)16(3)5-4-11(17)14-2/h6-7H,4-5H2,1-3H3,(H,14,17)
InChIKeyWRTVJTDLGPXIDH-UHFFFAOYSA-N
XLogP1.25
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-ethyl-N,6-dimethylpyridine-3-carboxamide
CID 81225000
4-chloro-N-(2-methoxyethyl)-N,6-dimethylpyridine-3-carboxamide
CID 81226512
4-chloro-N-(cyanomethyl)-N,6-dimethylpyridine-3-carboxamide
CID 103817245
4-chloro-N,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 81226216
5-amino-2-chloro-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 106913729
4-chloro-N,6-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxamide
CID 81228294
4-chloro-N-[(2,4-dichlorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide
CID 81227711
N,N-dibutyl-4-chloro-6-methylpyridine-3-carboxamide
CID 81224997
4-chloro-6-methyl-N-propan-2-yl-N-propylpyridine-3-carboxamide
CID 81225563
4-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-methylpyridine-3-carboxamide
CID 102978950
N-[(2-bromophenyl)methyl]-4-chloro-N,6-dimethylpyridine-3-carboxamide
CID 81226226
4-chloro-N,6-dimethyl-N-[(2-methylfuran-3-yl)methyl]pyridine-3-carboxamide
CID 81226370

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,6-dimethyl-N-[3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N,6-dimethyl-N-[3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide (CID 113268050) is 4-chloro-N,6-dimethyl-N-[3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N,6-dimethyl-N-[3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N,6-dimethyl-N-[3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide is CNC(=O)CCN(C)C(=O)c1cnc(C)cc1Cl.
What is the InChIKey of 4-chloro-N,6-dimethyl-N-[3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide?
The InChIKey is WRTVJTDLGPXIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-8-6-10(13)9(7-15-8)12(18)16(3)5-4-11(17)14-2/h6-7H,4-5H2,1-3H3,(H,14,17).
What are the key properties of 4-chloro-N,6-dimethyl-N-[3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide?
4-chloro-N,6-dimethyl-N-[3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide has a molecular weight of 269.73 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,6-dimethyl-N-[3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide is sourced from PubChem (CID 113268050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).