N-butyl-N-(4-cyano-2-pyridinyl)formamide

C11H13N3O — CID 144779744

IUPACN-butyl-N-(4-cyano-2-pyridinyl)formamide
SMILESCCCCN(C=O)c1cc(C#N)ccn1
InChIInChI=1S/C11H13N3O/c1-2-3-6-14(9-15)11-7-10(8-12)4-5-13-11/h4-5,7,9H,2-3,6H2,1H3
InChIKeySVIZVIVGRYOZDT-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.72
Rot. Bonds5

About N-butyl-N-(4-cyano-2-pyridinyl)formamide

N-butyl-N-(4-cyano-2-pyridinyl)formamide (PubChem CID 144779744) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is N-butyl-N-(4-cyano-2-pyridinyl)formamide.

Molecular Properties

Compound NameN-butyl-N-(4-cyano-2-pyridinyl)formamide
PubChem CID144779744
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC NameN-butyl-N-(4-cyano-2-pyridinyl)formamide
SMILESCCCCN(C=O)c1cc(C#N)ccn1
InChIInChI=1S/C11H13N3O/c1-2-3-6-14(9-15)11-7-10(8-12)4-5-13-11/h4-5,7,9H,2-3,6H2,1H3
InChIKeySVIZVIVGRYOZDT-UHFFFAOYSA-N
XLogP1.72
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[butyl(ethyl)amino]pyridine-4-carbonitrile
CID 24696203
2-[butan-2-yl(butyl)amino]pyridine-4-carbonitrile
CID 55004808
2-(dipropylamino)pyridine-4-carbonitrile
CID 14640854
2-[butyl(cyclopropyl)amino]pyridine-4-carbonitrile
CID 61442767
N-(4-cyano-2-pyridinyl)-N-(1-oxopentan-2-yl)formamide
CID 145427055
2-[3-(diethylamino)propyl-ethylamino]pyridine-4-carbonitrile
CID 102993231
(2S)-N-(4-cyano-2-pyridinyl)-N,2-dimethylhexanamide
CID 124874127
2-[butan-2-yl(methyl)amino]pyridine-4-carbonitrile
CID 43273063
2-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carbonitrile
CID 79858347
tert-butyl N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]carbamate
CID 121426940
2-[(2-aminophenyl)methyl-propylamino]pyridine-4-carbonitrile
CID 60877236
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carbonitrile
CID 79390747

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(4-cyano-2-pyridinyl)formamide?
The IUPAC name of N-butyl-N-(4-cyano-2-pyridinyl)formamide (CID 144779744) is N-butyl-N-(4-cyano-2-pyridinyl)formamide.
What is the SMILES notation for N-butyl-N-(4-cyano-2-pyridinyl)formamide?
The canonical SMILES for N-butyl-N-(4-cyano-2-pyridinyl)formamide is CCCCN(C=O)c1cc(C#N)ccn1.
What is the InChIKey of N-butyl-N-(4-cyano-2-pyridinyl)formamide?
The InChIKey is SVIZVIVGRYOZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-2-3-6-14(9-15)11-7-10(8-12)4-5-13-11/h4-5,7,9H,2-3,6H2,1H3.
What are the key properties of N-butyl-N-(4-cyano-2-pyridinyl)formamide?
N-butyl-N-(4-cyano-2-pyridinyl)formamide has a molecular weight of 203.25 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(4-cyano-2-pyridinyl)formamide is sourced from PubChem (CID 144779744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).