6-chloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide

C13H18ClN3O2 — CID 113406887

IUPAC6-chloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
SMILESCC(C)CNC(=O)C(C)NC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C13H18ClN3O2/c1-8(2)6-16-12(18)9(3)17-13(19)10-4-5-11(14)15-7-10/h4-5,7-9H,6H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyBZPHLGIZHAMVGE-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.63
Rot. Bonds5

About 6-chloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide

6-chloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide (PubChem CID 113406887) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 6-chloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
PubChem CID113406887
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name6-chloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
SMILESCC(C)CNC(=O)C(C)NC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C13H18ClN3O2/c1-8(2)6-16-12(18)9(3)17-13(19)10-4-5-11(14)15-7-10/h4-5,7-9H,6H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyBZPHLGIZHAMVGE-UHFFFAOYSA-N
XLogP1.63
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-[(2S)-3-methylbutan-2-yl]pyridine-3-carboxamide
CID 28880213
N-(4-amino-4-oxobutan-2-yl)-6-chloropyridine-3-carboxamide
CID 115664808
methyl (2R)-2-[(6-chloropyridine-3-carbonyl)amino]-4-methylpentanoate
CID 51681559
2-[(6-chloropyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 43091866
6-chloro-N-ethylpyridine-3-carboxamide
CID 819370
6-chloro-N-[1-(diethylamino)ethyl]pyridine-3-carboxamide;hydrochloride
CID 88751278
6-chloro-N-(5-methylhexyl)pyridine-3-carboxamide
CID 79003057
6-chloro-N-[1-(oxan-4-yl)ethyl]pyridine-3-carboxamide
CID 103769200
6-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 9218589
6-chloro-N-(2-cyclopropylpropyl)pyridine-3-carboxamide
CID 115591200
6-chloro-N-(4-methylsulfinylbutan-2-yl)pyridine-3-carboxamide
CID 115673226
2-amino-5-chloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 114924418

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide (CID 113406887) is 6-chloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide is CC(C)CNC(=O)C(C)NC(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide?
The InChIKey is BZPHLGIZHAMVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-8(2)6-16-12(18)9(3)17-13(19)10-4-5-11(14)15-7-10/h4-5,7-9H,6H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of 6-chloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide?
6-chloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide has a molecular weight of 283.76 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 113406887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).