2-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide

C12H16ClN3O2 — CID 103722285

IUPAC2-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide
SMILESCNC(=O)C(C)CN(C)C(=O)c1cccnc1Cl
InChIInChI=1S/C12H16ClN3O2/c1-8(11(17)14-2)7-16(3)12(18)9-5-4-6-15-10(9)13/h4-6,8H,7H2,1-3H3,(H,14,17)
InChIKeyBJVHTEIALDFKEO-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.19
Rot. Bonds4

About 2-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide

2-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide (PubChem CID 103722285) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide
PubChem CID103722285
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name2-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide
SMILESCNC(=O)C(C)CN(C)C(=O)c1cccnc1Cl
InChIInChI=1S/C12H16ClN3O2/c1-8(11(17)14-2)7-16(3)12(18)9-5-4-6-15-10(9)13/h4-6,8H,7H2,1-3H3,(H,14,17)
InChIKeyBJVHTEIALDFKEO-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[(2-chloropyridine-3-carbonyl)-methylamino]-2-methylpropanoate
CID 61051558
N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-2-sulfanylbenzamide
CID 107037305
3-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-2-nitrobenzamide
CID 103737148
3-amino-2-hydroxy-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106913813
N-(2-amino-2-oxoethyl)-2-chloro-N-methylpyridine-3-carboxamide
CID 43374214
2-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60628317
2-amino-4-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106913799
2-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 61073257
2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide
CID 79389751
4-amino-2-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide;hydrochloride
CID 119818676
6-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]pyridine-2-carboxylic acid
CID 103790374
3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-2-carboxylic acid
CID 106917296

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide (CID 103722285) is 2-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide is CNC(=O)C(C)CN(C)C(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide?
The InChIKey is BJVHTEIALDFKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-8(11(17)14-2)7-16(3)12(18)9-5-4-6-15-10(9)13/h4-6,8H,7H2,1-3H3,(H,14,17).
What are the key properties of 2-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide?
2-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide has a molecular weight of 269.73 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide is sourced from PubChem (CID 103722285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).