4-chloro-N-[2-(cyclopropylmethylamino)-2-oxoethyl]pyridine-2-carboxamide

C12H14ClN3O2 — CID 24667080

IUPAC4-chloro-N-[2-(cyclopropylmethylamino)-2-oxoethyl]pyridine-2-carboxamide
SMILESO=C(CNC(=O)c1cc(Cl)ccn1)NCC1CC1
InChIInChI=1S/C12H14ClN3O2/c13-9-3-4-14-10(5-9)12(18)16-7-11(17)15-6-8-1-2-8/h3-5,8H,1-2,6-7H2,(H,15,17)(H,16,18)
InChIKeyYWRMGDWVZNKIGI-UHFFFAOYSA-N
MW267.72 g/mol
LogP0.99
Rot. Bonds5

About 4-chloro-N-[2-(cyclopropylmethylamino)-2-oxoethyl]pyridine-2-carboxamide

4-chloro-N-[2-(cyclopropylmethylamino)-2-oxoethyl]pyridine-2-carboxamide (PubChem CID 24667080) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is 4-chloro-N-[2-(cyclopropylmethylamino)-2-oxoethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-(cyclopropylmethylamino)-2-oxoethyl]pyridine-2-carboxamide
PubChem CID24667080
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name4-chloro-N-[2-(cyclopropylmethylamino)-2-oxoethyl]pyridine-2-carboxamide
SMILESO=C(CNC(=O)c1cc(Cl)ccn1)NCC1CC1
InChIInChI=1S/C12H14ClN3O2/c13-9-3-4-14-10(5-9)12(18)16-7-11(17)15-6-8-1-2-8/h3-5,8H,1-2,6-7H2,(H,15,17)(H,16,18)
InChIKeyYWRMGDWVZNKIGI-UHFFFAOYSA-N
XLogP0.99
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(3-cyclopropylpropyl)pyridine-2-carboxamide
CID 115635951
4-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]pyridine-2-carboxamide
CID 9068732
4-chloro-N-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide
CID 9268867
(cyclopropylmethylamino) 4-chloropyridine-2-carboxylate
CID 150438541
cyclopropylmethyl 4-chloropyridine-2-carboxylate
CID 63840175
4-chloro-N-[2-[(4-methylpiperazin-1-yl)amino]-2-oxoethyl]pyridine-2-carboxamide
CID 9205834
4-chloro-N-[2-oxo-2-(phenylmethoxyamino)ethyl]pyridine-2-carboxamide
CID 9227627
4-chloro-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide
CID 9269080
4-chloro-N-[2-[[1-(dimethylamino)cycloheptyl]methylamino]-2-oxoethyl]pyridine-2-carboxamide
CID 24647121
4-chloro-N-[(2-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 54983100
4-chloro-N-[2-[(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)amino]-2-oxoethyl]pyridine-2-carboxamide
CID 154838990
4-chloro-N-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]pyridine-2-carboxamide
CID 9427363

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(cyclopropylmethylamino)-2-oxoethyl]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-[2-(cyclopropylmethylamino)-2-oxoethyl]pyridine-2-carboxamide (CID 24667080) is 4-chloro-N-[2-(cyclopropylmethylamino)-2-oxoethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-(cyclopropylmethylamino)-2-oxoethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-[2-(cyclopropylmethylamino)-2-oxoethyl]pyridine-2-carboxamide is O=C(CNC(=O)c1cc(Cl)ccn1)NCC1CC1.
What is the InChIKey of 4-chloro-N-[2-(cyclopropylmethylamino)-2-oxoethyl]pyridine-2-carboxamide?
The InChIKey is YWRMGDWVZNKIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c13-9-3-4-14-10(5-9)12(18)16-7-11(17)15-6-8-1-2-8/h3-5,8H,1-2,6-7H2,(H,15,17)(H,16,18).
What are the key properties of 4-chloro-N-[2-(cyclopropylmethylamino)-2-oxoethyl]pyridine-2-carboxamide?
4-chloro-N-[2-(cyclopropylmethylamino)-2-oxoethyl]pyridine-2-carboxamide has a molecular weight of 267.72 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(cyclopropylmethylamino)-2-oxoethyl]pyridine-2-carboxamide is sourced from PubChem (CID 24667080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).