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

C10H12ClN3O2 — CID 66482781

IUPAC3-chloro-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
SMILESCNC(=O)CCNC(=O)c1ccncc1Cl
InChIInChI=1S/C10H12ClN3O2/c1-12-9(15)3-5-14-10(16)7-2-4-13-6-8(7)11/h2,4,6H,3,5H2,1H3,(H,12,15)(H,14,16)
InChIKeySDAHJIXUUASXDS-UHFFFAOYSA-N
MW241.68 g/mol
LogP0.60
Rot. Bonds4

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

3-chloro-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide (PubChem CID 66482781) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is 3-chloro-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
PubChem CID66482781
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name3-chloro-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
SMILESCNC(=O)CCNC(=O)c1ccncc1Cl
InChIInChI=1S/C10H12ClN3O2/c1-12-9(15)3-5-14-10(16)7-2-4-13-6-8(7)11/h2,4,6H,3,5H2,1H3,(H,12,15)(H,14,16)
InChIKeySDAHJIXUUASXDS-UHFFFAOYSA-N
XLogP0.60
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-3-sulfanylidenepropyl)-3-chloropyridine-4-carboxamide
CID 66462619
3-hydrazinyl-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
CID 105071873
N-(2-bromoethyl)-3-chloropyridine-4-carboxamide
CID 66482611
3-chloro-N-(3-chloropropyl)pyridine-4-carboxamide
CID 66482803
3-chloro-N-(7-methyloctyl)pyridine-4-carboxamide
CID 66481997
3-chloro-N-[2-(methanesulfonamido)ethyl]pyridine-4-carboxamide
CID 66464224
3-chloro-N-methyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 66464024
3-chloro-N-[(2S)-2-hydroxypropyl]pyridine-4-carboxamide
CID 83030867
N-but-2-ynyl-3-chloropyridine-4-carboxamide
CID 115866885
N-[2-(tert-butylamino)-2-oxoethyl]-3-chloropyridine-4-carboxamide
CID 79079783
2-[2-[(3-chloropyridine-4-carbonyl)amino]ethylsulfanyl]acetic acid
CID 120526506
3-chloro-N-[2-(2-methylphenyl)ethyl]pyridine-4-carboxamide
CID 79079687

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide (CID 66482781) is 3-chloro-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide is CNC(=O)CCNC(=O)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide?
The InChIKey is SDAHJIXUUASXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c1-12-9(15)3-5-14-10(16)7-2-4-13-6-8(7)11/h2,4,6H,3,5H2,1H3,(H,12,15)(H,14,16).
What are the key properties of 3-chloro-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide?
3-chloro-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide has a molecular weight of 241.68 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide is sourced from PubChem (CID 66482781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).