N-(1-pyridin-4-ylbutylidene)nitrous amide

C9H11N3O — CID 173372674

IUPACN-(1-pyridin-4-ylbutylidene)nitrous amide
SMILESCCCC(=NN=O)c1ccncc1
InChIInChI=1S/C9H11N3O/c1-2-3-9(11-12-13)8-4-6-10-7-5-8/h4-7H,2-3H2,1H3
InChIKeyCFQUMUXRKOZYRC-UHFFFAOYSA-N
MW177.21 g/mol
LogP2.35
Rot. Bonds4

About N-(1-pyridin-4-ylbutylidene)nitrous amide

N-(1-pyridin-4-ylbutylidene)nitrous amide (PubChem CID 173372674) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is N-(1-pyridin-4-ylbutylidene)nitrous amide.

Molecular Properties

Compound NameN-(1-pyridin-4-ylbutylidene)nitrous amide
PubChem CID173372674
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC NameN-(1-pyridin-4-ylbutylidene)nitrous amide
SMILESCCCC(=NN=O)c1ccncc1
InChIInChI=1S/C9H11N3O/c1-2-3-9(11-12-13)8-4-6-10-7-5-8/h4-7H,2-3H2,1H3
InChIKeyCFQUMUXRKOZYRC-UHFFFAOYSA-N
XLogP2.35
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-pyridin-4-ylpentylidene)hydroxylamine
CID 154164009
2-hydroxy-N-[(Z)-1-pyridin-4-ylbutylideneamino]benzamide
CID 142204388
pentan-2-one;pyridine-4-carboxylic acid
CID 174864210
butane;1-pyridin-4-ylethanone
CID 174655632
N-[(Z)-pentan-2-ylideneamino]pyridine-4-carboxamide
CID 6114549
1-pyridin-4-ylbutan-1-imine
CID 59020939
4-tetracos-1-en-2-ylpyridine
CID 69120272
1-pyridin-4-ylhexadecan-1-one
CID 102412701
N-(1-phenylhexylideneamino)pyridine-4-carboxamide
CID 2838403
2-(4-methoxyphenyl)-N-methyl-1-pyridin-4-ylethanimine
CID 54101281
4-[(3Z,5Z)-nona-3,5-dien-5-yl]pyridine
CID 97114967
4-[(3Z,5E)-nona-3,5-dien-5-yl]pyridine
CID 97114966

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-4-ylbutylidene)nitrous amide?
The IUPAC name of N-(1-pyridin-4-ylbutylidene)nitrous amide (CID 173372674) is N-(1-pyridin-4-ylbutylidene)nitrous amide.
What is the SMILES notation for N-(1-pyridin-4-ylbutylidene)nitrous amide?
The canonical SMILES for N-(1-pyridin-4-ylbutylidene)nitrous amide is CCCC(=NN=O)c1ccncc1.
What is the InChIKey of N-(1-pyridin-4-ylbutylidene)nitrous amide?
The InChIKey is CFQUMUXRKOZYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-2-3-9(11-12-13)8-4-6-10-7-5-8/h4-7H,2-3H2,1H3.
What are the key properties of N-(1-pyridin-4-ylbutylidene)nitrous amide?
N-(1-pyridin-4-ylbutylidene)nitrous amide has a molecular weight of 177.21 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-4-ylbutylidene)nitrous amide is sourced from PubChem (CID 173372674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).