butan-1-imine;pyridine-2-carboxamide

C10H15N3O — CID 143815208

IUPACbutan-1-imine;pyridine-2-carboxamide
SMILESNC(=O)c1ccccn1.[H]/N=C/CCC
InChIInChI=1S/C6H6N2O.C4H9N/c7-6(9)5-3-1-2-4-8-5;1-2-3-4-5/h1-4H,(H2,7,9);4-5H,2-3H2,1H3/b;5-4+
InChIKeyTWVCIAJJUGOSFC-RCKHEGBHSA-N
MW193.25 g/mol
LogP1.62
Rot. Bonds3

About butan-1-imine;pyridine-2-carboxamide

butan-1-imine;pyridine-2-carboxamide (PubChem CID 143815208) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is butan-1-imine;pyridine-2-carboxamide.

Molecular Properties

Compound Namebutan-1-imine;pyridine-2-carboxamide
PubChem CID143815208
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Namebutan-1-imine;pyridine-2-carboxamide
SMILESNC(=O)c1ccccn1.[H]/N=C/CCC
InChIInChI=1S/C6H6N2O.C4H9N/c7-6(9)5-3-1-2-4-8-5;1-2-3-4-5/h1-4H,(H2,7,9);4-5H,2-3H2,1H3/b;5-4+
InChIKeyTWVCIAJJUGOSFC-RCKHEGBHSA-N
XLogP1.62
TPSA79.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethane;molecular hydrogen;pyridine-2-carboxamide
CID 145071770
acetyl bromide;pyridine-2-carboxamide
CID 175817538
benzoic acid;pyridine-2-carboxamide
CID 67821051
2,3-dihydroxybutanedioic acid;pyridine-2-carboxamide
CID 174601902
(Z)-3-imino-2-methyl-1-pyridin-2-ylprop-1-en-1-amine
CID 142933408
tert-butyl carbamate;pyridine-2-carboxamide
CID 175209186
dioxane;pyridine-2-carboxamide
CID 174962613
butane;ethane;1-pyridin-2-ylpropan-1-one
CID 144892300
ethyl pyridine-2-carboxylate
CID 17307
ethyl (E)-3-pyridin-2-ylbut-2-enoate
CID 22236931
1-methylpyrrol-2-amine;pyridine-2-carboxamide
CID 174903535
3-amino-1-pyridin-2-ylpropan-1-one
CID 45079500

Frequently Asked Questions

What is the IUPAC name of butan-1-imine;pyridine-2-carboxamide?
The IUPAC name of butan-1-imine;pyridine-2-carboxamide (CID 143815208) is butan-1-imine;pyridine-2-carboxamide.
What is the SMILES notation for butan-1-imine;pyridine-2-carboxamide?
The canonical SMILES for butan-1-imine;pyridine-2-carboxamide is NC(=O)c1ccccn1.[H]/N=C/CCC.
What is the InChIKey of butan-1-imine;pyridine-2-carboxamide?
The InChIKey is TWVCIAJJUGOSFC-RCKHEGBHSA-N. The full InChI is InChI=1S/C6H6N2O.C4H9N/c7-6(9)5-3-1-2-4-8-5;1-2-3-4-5/h1-4H,(H2,7,9);4-5H,2-3H2,1H3/b;5-4+.
What are the key properties of butan-1-imine;pyridine-2-carboxamide?
butan-1-imine;pyridine-2-carboxamide has a molecular weight of 193.25 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-imine;pyridine-2-carboxamide is sourced from PubChem (CID 143815208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).