molecular hydrogen;N-pyridin-2-ylbutanamide

C9H14N2O — CID 142960531

IUPACmolecular hydrogen;N-pyridin-2-ylbutanamide
SMILESCCCC(=O)Nc1ccccn1.[H][H]
InChIInChI=1S/C9H12N2O.H2/c1-2-5-9(12)11-8-6-3-4-7-10-8;/h3-4,6-7H,2,5H2,1H3,(H,10,11,12);1H
InChIKeyPVVBNONFBLOBHD-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.07
Rot. Bonds3

About molecular hydrogen;N-pyridin-2-ylbutanamide

molecular hydrogen;N-pyridin-2-ylbutanamide (PubChem CID 142960531) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is molecular hydrogen;N-pyridin-2-ylbutanamide.

Molecular Properties

Compound Namemolecular hydrogen;N-pyridin-2-ylbutanamide
PubChem CID142960531
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Namemolecular hydrogen;N-pyridin-2-ylbutanamide
SMILESCCCC(=O)Nc1ccccn1.[H][H]
InChIInChI=1S/C9H12N2O.H2/c1-2-5-9(12)11-8-6-3-4-7-10-8;/h3-4,6-7H,2,5H2,1H3,(H,10,11,12);1H
InChIKeyPVVBNONFBLOBHD-UHFFFAOYSA-N
XLogP2.07
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-dipyridin-2-ylbutanediamide
CID 3684644
(Z)-N-pyridin-2-yloctadec-9-enamide
CID 145189388
N-pent-1-en-2-ylpyridin-2-amine
CID 129060161
N-[3-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]butanamide
CID 18912435
(2R)-2-ethyl-5-oxo-5-(pyridin-2-ylamino)pentanoic acid
CID 946111
2-methylsulfanyl-N-pyridin-2-ylacetamide
CID 130725350
N-pyrimidin-4-ylbutanamide
CID 130272746
3,3-dimethyl-N-pyridin-2-ylpentanamide
CID 134494130
4-(4-methylphenyl)-4-oxo-N-pyridin-2-ylbutanamide
CID 35034572
5-oxo-5-phenyl-N-pyridin-2-ylpentanamide
CID 108796237
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-pyridin-2-ylpropanamide
CID 18107170
3-amino-3-methyl-N-pyridin-2-ylbutanamide
CID 64684321

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;N-pyridin-2-ylbutanamide?
The IUPAC name of molecular hydrogen;N-pyridin-2-ylbutanamide (CID 142960531) is molecular hydrogen;N-pyridin-2-ylbutanamide.
What is the SMILES notation for molecular hydrogen;N-pyridin-2-ylbutanamide?
The canonical SMILES for molecular hydrogen;N-pyridin-2-ylbutanamide is CCCC(=O)Nc1ccccn1.[H][H].
What is the InChIKey of molecular hydrogen;N-pyridin-2-ylbutanamide?
The InChIKey is PVVBNONFBLOBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O.H2/c1-2-5-9(12)11-8-6-3-4-7-10-8;/h3-4,6-7H,2,5H2,1H3,(H,10,11,12);1H.
What are the key properties of molecular hydrogen;N-pyridin-2-ylbutanamide?
molecular hydrogen;N-pyridin-2-ylbutanamide has a molecular weight of 166.22 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;N-pyridin-2-ylbutanamide is sourced from PubChem (CID 142960531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).