3-chloro-N-methyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide

C10H12ClN3O2 — CID 66464024

IUPAC3-chloro-N-methyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
SMILESCNC(=O)CN(C)C(=O)c1ccncc1Cl
InChIInChI=1S/C10H12ClN3O2/c1-12-9(15)6-14(2)10(16)7-3-4-13-5-8(7)11/h3-5H,6H2,1-2H3,(H,12,15)
InChIKeyWPEMWBBYGZDLBP-UHFFFAOYSA-N
MW241.68 g/mol
LogP0.55
Rot. Bonds3

About 3-chloro-N-methyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide

3-chloro-N-methyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide (PubChem CID 66464024) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-methyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
PubChem CID66464024
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name3-chloro-N-methyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
SMILESCNC(=O)CN(C)C(=O)c1ccncc1Cl
InChIInChI=1S/C10H12ClN3O2/c1-12-9(15)6-14(2)10(16)7-3-4-13-5-8(7)11/h3-5H,6H2,1-2H3,(H,12,15)
InChIKeyWPEMWBBYGZDLBP-UHFFFAOYSA-N
XLogP0.55
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-methyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 80706848
3-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
CID 66484898
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 66484972
3-chloro-N-[(4-ethylphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 66482539
3-chloro-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
CID 66482781
methyl 4-[(3-chloropyridine-4-carbonyl)-methylamino]butanoate
CID 66484508
3-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide
CID 66484932
N-methyl-N-[2-(methylamino)-2-oxoethyl]pyrazine-2-carboxamide
CID 47112752
2-[carboxymethyl-(3-chloropyridine-4-carbonyl)amino]acetic acid
CID 66464574
N-[(3-bromocyclobutyl)methyl]-3-chloro-N-methylpyridine-4-carboxamide
CID 80673422
3-chloro-N,N-dipropylpyridine-4-carboxamide
CID 66463803
3-chloro-N-[2-(dimethylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 66464016

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-methyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide (CID 66464024) is 3-chloro-N-methyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-methyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-methyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide is CNC(=O)CN(C)C(=O)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-methyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide?
The InChIKey is WPEMWBBYGZDLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c1-12-9(15)6-14(2)10(16)7-3-4-13-5-8(7)11/h3-5H,6H2,1-2H3,(H,12,15).
What are the key properties of 3-chloro-N-methyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide?
3-chloro-N-methyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide has a molecular weight of 241.68 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide is sourced from PubChem (CID 66464024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).