molecular hydrogen;(E)-N-propan-2-yl-3-pyridin-3-ylprop-2-enamide

C11H16N2O — CID 168909780

IUPACmolecular hydrogen;(E)-N-propan-2-yl-3-pyridin-3-ylprop-2-enamide
SMILESCC(C)NC(=O)/C=C/c1cccnc1.[H][H]
InChIInChI=1S/C11H14N2O.H2/c1-9(2)13-11(14)6-5-10-4-3-7-12-8-10;/h3-9H,1-2H3,(H,13,14);1H/b6-5+;
InChIKeyFOVIDSUOKXRSEK-IPZCTEOASA-N
MW192.26 g/mol
LogP1.87
Rot. Bonds3

About molecular hydrogen;(E)-N-propan-2-yl-3-pyridin-3-ylprop-2-enamide

molecular hydrogen;(E)-N-propan-2-yl-3-pyridin-3-ylprop-2-enamide (PubChem CID 168909780) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is molecular hydrogen;(E)-N-propan-2-yl-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Namemolecular hydrogen;(E)-N-propan-2-yl-3-pyridin-3-ylprop-2-enamide
PubChem CID168909780
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Namemolecular hydrogen;(E)-N-propan-2-yl-3-pyridin-3-ylprop-2-enamide
SMILESCC(C)NC(=O)/C=C/c1cccnc1.[H][H]
InChIInChI=1S/C11H14N2O.H2/c1-9(2)13-11(14)6-5-10-4-3-7-12-8-10;/h3-9H,1-2H3,(H,13,14);1H/b6-5+;
InChIKeyFOVIDSUOKXRSEK-IPZCTEOASA-N
XLogP1.87
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3-pyridin-3-ylprop-2-enamide
CID 73116356
(E)-N-[1-(4-aminophenyl)ethyl]-3-pyridin-3-ylprop-2-enamide
CID 175541774
(E)-N-[(2R)-1-hydroxybutan-2-yl]-3-pyridin-3-ylprop-2-enamide
CID 103919982
(E)-N-[1-(1H-pyrazol-4-yl)ethyl]-3-pyridin-3-ylprop-2-enamide
CID 103855933
(2R)-3-hydroxy-2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]propanoic acid
CID 80750784
(E)-N-[1-(4-methylsulfonylphenyl)ethyl]-3-pyridin-3-ylprop-2-enamide
CID 134047995
(E)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-pyridin-3-ylprop-2-enamide
CID 38091744
N-(2-hydroxy-1-phenylethyl)-3-pyridin-3-ylprop-2-enamide
CID 76988075
(2S)-4-hydroxy-2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]butanoic acid
CID 114004802
(E)-N-[1-(1-benzofuran-2-yl)ethyl]-3-pyridin-3-ylprop-2-enamide
CID 134047555
2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]-2-thiophen-2-ylacetic acid
CID 115284148
4-methyl-6-(3-pyridin-3-ylprop-2-enoylamino)hexanoic acid
CID 77024850

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;(E)-N-propan-2-yl-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of molecular hydrogen;(E)-N-propan-2-yl-3-pyridin-3-ylprop-2-enamide (CID 168909780) is molecular hydrogen;(E)-N-propan-2-yl-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for molecular hydrogen;(E)-N-propan-2-yl-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for molecular hydrogen;(E)-N-propan-2-yl-3-pyridin-3-ylprop-2-enamide is CC(C)NC(=O)/C=C/c1cccnc1.[H][H].
What is the InChIKey of molecular hydrogen;(E)-N-propan-2-yl-3-pyridin-3-ylprop-2-enamide?
The InChIKey is FOVIDSUOKXRSEK-IPZCTEOASA-N. The full InChI is InChI=1S/C11H14N2O.H2/c1-9(2)13-11(14)6-5-10-4-3-7-12-8-10;/h3-9H,1-2H3,(H,13,14);1H/b6-5+;.
What are the key properties of molecular hydrogen;(E)-N-propan-2-yl-3-pyridin-3-ylprop-2-enamide?
molecular hydrogen;(E)-N-propan-2-yl-3-pyridin-3-ylprop-2-enamide has a molecular weight of 192.26 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;(E)-N-propan-2-yl-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 168909780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).