N-[3-(butan-2-ylamino)-3-oxopropyl]-2-chloropyridine-4-carboxamide

C13H18ClN3O2 — CID 61053305

IUPACN-[3-(butan-2-ylamino)-3-oxopropyl]-2-chloropyridine-4-carboxamide
SMILESCCC(C)NC(=O)CCNC(=O)c1ccnc(Cl)c1
InChIInChI=1S/C13H18ClN3O2/c1-3-9(2)17-12(18)5-7-16-13(19)10-4-6-15-11(14)8-10/h4,6,8-9H,3,5,7H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyXSMYKXHOFNSGRE-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.77
Rot. Bonds6

About N-[3-(butan-2-ylamino)-3-oxopropyl]-2-chloropyridine-4-carboxamide

N-[3-(butan-2-ylamino)-3-oxopropyl]-2-chloropyridine-4-carboxamide (PubChem CID 61053305) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is N-[3-(butan-2-ylamino)-3-oxopropyl]-2-chloropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(butan-2-ylamino)-3-oxopropyl]-2-chloropyridine-4-carboxamide
PubChem CID61053305
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC NameN-[3-(butan-2-ylamino)-3-oxopropyl]-2-chloropyridine-4-carboxamide
SMILESCCC(C)NC(=O)CCNC(=O)c1ccnc(Cl)c1
InChIInChI=1S/C13H18ClN3O2/c1-3-9(2)17-12(18)5-7-16-13(19)10-4-6-15-11(14)8-10/h4,6,8-9H,3,5,7H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyXSMYKXHOFNSGRE-UHFFFAOYSA-N
XLogP1.77
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.77
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

N-[3-(butan-2-ylamino)-3-oxopropyl]-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 62177585
2-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
CID 35371155
N-[3-[[(2S)-butan-2-yl]amino]-3-oxopropyl]-2H-benzotriazole-5-carboxamide
CID 94816425
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-hydroxy-4-iodobenzamide
CID 104627763
N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-2H-benzotriazole-5-carboxamide
CID 94816424
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191435
2-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-4-carboxamide
CID 113228858
2-chloro-N-(3-methylsulfanylbutyl)pyridine-4-carboxamide
CID 115604079
2-chloro-N-(1-hydroxypropan-2-yl)pyridine-4-carboxamide
CID 60747484
N-[3-(butan-2-ylamino)-3-oxopropyl]-6-(methylamino)pyridine-3-carboxamide
CID 62177053
4-[(2-chloropyridine-4-carbonyl)amino]pentanoic acid
CID 103932808
5-bromo-N-[3-(butan-2-ylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 61150398

Frequently Asked Questions

What is the IUPAC name of N-[3-(butan-2-ylamino)-3-oxopropyl]-2-chloropyridine-4-carboxamide?
The IUPAC name of N-[3-(butan-2-ylamino)-3-oxopropyl]-2-chloropyridine-4-carboxamide (CID 61053305) is N-[3-(butan-2-ylamino)-3-oxopropyl]-2-chloropyridine-4-carboxamide.
What is the SMILES notation for N-[3-(butan-2-ylamino)-3-oxopropyl]-2-chloropyridine-4-carboxamide?
The canonical SMILES for N-[3-(butan-2-ylamino)-3-oxopropyl]-2-chloropyridine-4-carboxamide is CCC(C)NC(=O)CCNC(=O)c1ccnc(Cl)c1.
What is the InChIKey of N-[3-(butan-2-ylamino)-3-oxopropyl]-2-chloropyridine-4-carboxamide?
The InChIKey is XSMYKXHOFNSGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-3-9(2)17-12(18)5-7-16-13(19)10-4-6-15-11(14)8-10/h4,6,8-9H,3,5,7H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of N-[3-(butan-2-ylamino)-3-oxopropyl]-2-chloropyridine-4-carboxamide?
N-[3-(butan-2-ylamino)-3-oxopropyl]-2-chloropyridine-4-carboxamide has a molecular weight of 283.76 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butan-2-ylamino)-3-oxopropyl]-2-chloropyridine-4-carboxamide is sourced from PubChem (CID 61053305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).