2-amino-5-(4-oxobut-1-enyl)pyridine-3-carbonitrile

C10H9N3O — CID 170481970

IUPAC2-amino-5-(4-oxobut-1-enyl)pyridine-3-carbonitrile
SMILESN#Cc1cc(C=CCC=O)cnc1N
InChIInChI=1S/C10H9N3O/c11-6-9-5-8(3-1-2-4-14)7-13-10(9)12/h1,3-5,7H,2H2,(H2,12,13)
InChIKeyIIGPTTLHAIDRRH-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.14
Rot. Bonds3

About 2-amino-5-(4-oxobut-1-enyl)pyridine-3-carbonitrile

2-amino-5-(4-oxobut-1-enyl)pyridine-3-carbonitrile (PubChem CID 170481970) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 2-amino-5-(4-oxobut-1-enyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-(4-oxobut-1-enyl)pyridine-3-carbonitrile
PubChem CID170481970
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name2-amino-5-(4-oxobut-1-enyl)pyridine-3-carbonitrile
SMILESN#Cc1cc(C=CCC=O)cnc1N
InChIInChI=1S/C10H9N3O/c11-6-9-5-8(3-1-2-4-14)7-13-10(9)12/h1,3-5,7H,2H2,(H2,12,13)
InChIKeyIIGPTTLHAIDRRH-UHFFFAOYSA-N
XLogP1.14
TPSA79.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-(3-aminoprop-1-enyl)pyridine-3-carbonitrile
CID 169463667
4-(6-amino-5-cyano-3-pyridinyl)but-3-enoic acid
CID 170483669
ethyl 4-(6-amino-5-cyano-3-pyridinyl)but-3-enoate
CID 170796244
tert-butyl N-[4-(6-amino-5-cyano-3-pyridinyl)but-3-enyl]carbamate
CID 170490568
4-amino-2-(4-oxobut-1-enyl)benzonitrile
CID 170481821
5-(3-chloroprop-1-enyl)pyridine-2,3-diamine
CID 169477134
2-methyl-5-[(E)-3-oxoprop-1-enyl]pyridine-3-carbonitrile
CID 129188916
4-(4-oxobut-1-enyl)-2-phenylmethoxybenzonitrile
CID 170482858
2-amino-5-(2-chloroacetyl)pyridine-3-carbonitrile
CID 15067145
4-(6-fluoro-5-methyl-3-pyridinyl)but-3-enal
CID 170481549
2-chloro-5-(4-hydroxybut-1-enyl)pyridine-3-carbonitrile
CID 170476499
4-(1H-pyrazolo[4,5-b]pyridin-6-yl)but-3-enal
CID 170482011

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-oxobut-1-enyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-5-(4-oxobut-1-enyl)pyridine-3-carbonitrile (CID 170481970) is 2-amino-5-(4-oxobut-1-enyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-5-(4-oxobut-1-enyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-5-(4-oxobut-1-enyl)pyridine-3-carbonitrile is N#Cc1cc(C=CCC=O)cnc1N.
What is the InChIKey of 2-amino-5-(4-oxobut-1-enyl)pyridine-3-carbonitrile?
The InChIKey is IIGPTTLHAIDRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c11-6-9-5-8(3-1-2-4-14)7-13-10(9)12/h1,3-5,7H,2H2,(H2,12,13).
What are the key properties of 2-amino-5-(4-oxobut-1-enyl)pyridine-3-carbonitrile?
2-amino-5-(4-oxobut-1-enyl)pyridine-3-carbonitrile has a molecular weight of 187.20 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-oxobut-1-enyl)pyridine-3-carbonitrile is sourced from PubChem (CID 170481970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).