butanamide;2-chloropyridine-4-carboxamide

C10H14ClN3O2 — CID 174570819

IUPACbutanamide;2-chloropyridine-4-carboxamide
SMILESCCCC(N)=O.NC(=O)c1ccnc(Cl)c1
InChIInChI=1S/C6H5ClN2O.C4H9NO/c7-5-3-4(6(8)10)1-2-9-5;1-2-3-4(5)6/h1-3H,(H2,8,10);2-3H2,1H3,(H2,5,6)
InChIKeyPVGBSXSXCDXUTR-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.11
Rot. Bonds3

About butanamide;2-chloropyridine-4-carboxamide

butanamide;2-chloropyridine-4-carboxamide (PubChem CID 174570819) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is butanamide;2-chloropyridine-4-carboxamide.

Molecular Properties

Compound Namebutanamide;2-chloropyridine-4-carboxamide
PubChem CID174570819
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Namebutanamide;2-chloropyridine-4-carboxamide
SMILESCCCC(N)=O.NC(=O)c1ccnc(Cl)c1
InChIInChI=1S/C6H5ClN2O.C4H9NO/c7-5-3-4(6(8)10)1-2-9-5;1-2-3-4(5)6/h1-3H,(H2,8,10);2-3H2,1H3,(H2,5,6)
InChIKeyPVGBSXSXCDXUTR-UHFFFAOYSA-N
XLogP1.11
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.11
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

propyl 2-chloropyridine-4-carboxylate
CID 24723709
1-(2-chloro-4-pyridinyl)-2-ethylbutan-1-one
CID 24723737
N-(2-amino-2-oxoethoxy)-2-chloropyridine-4-carboxamide
CID 103901221
ethyl 2-[(2-chloropyridine-4-carbonyl)amino]propanoate
CID 47368209
1-(2-chloro-4-pyridinyl)-2,2-diethoxyethanone
CID 162417624
3-[(2-chloro-4-pyridinyl)amino]propanamide
CID 102824025
2-propylsulfanylpyridine-4-carboxamide
CID 22298978
1-(2-chloro-4-pyridinyl)-3-ethylhexan-1-one
CID 131863187
2-chloro-N,N-dipentylpyridine-4-carboxamide
CID 60776125
2-butyl-3-[2-(2-chloro-4-pyridinyl)-2-oxoethyl]pyridine-4-carboxamide
CID 174595712
1-(2-chloro-4-pyridinyl)-2,2-dimethylpropan-1-one
CID 24723731
2-(chloromethyl)pyridine-4-carboxamide
CID 22993396

Frequently Asked Questions

What is the IUPAC name of butanamide;2-chloropyridine-4-carboxamide?
The IUPAC name of butanamide;2-chloropyridine-4-carboxamide (CID 174570819) is butanamide;2-chloropyridine-4-carboxamide.
What is the SMILES notation for butanamide;2-chloropyridine-4-carboxamide?
The canonical SMILES for butanamide;2-chloropyridine-4-carboxamide is CCCC(N)=O.NC(=O)c1ccnc(Cl)c1.
What is the InChIKey of butanamide;2-chloropyridine-4-carboxamide?
The InChIKey is PVGBSXSXCDXUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2O.C4H9NO/c7-5-3-4(6(8)10)1-2-9-5;1-2-3-4(5)6/h1-3H,(H2,8,10);2-3H2,1H3,(H2,5,6).
What are the key properties of butanamide;2-chloropyridine-4-carboxamide?
butanamide;2-chloropyridine-4-carboxamide has a molecular weight of 243.69 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butanamide;2-chloropyridine-4-carboxamide is sourced from PubChem (CID 174570819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).