N-cyclobutyl-5-(3-prop-1-enylhexa-3,5-dien-1-ynyl)pyridine-2-carboxamide

C19H20N2O — CID 123485946

IUPACN-cyclobutyl-5-(3-prop-1-enylhexa-3,5-dien-1-ynyl)pyridine-2-carboxamide
SMILESC=CC=C(C#Cc1ccc(C(=O)NC2CCC2)nc1)C=CC
InChIInChI=1S/C19H20N2O/c1-3-6-15(7-4-2)10-11-16-12-13-18(20-14-16)19(22)21-17-8-5-9-17/h3-4,6-7,12-14,17H,1,5,8-9H2,2H3,(H,21,22)
InChIKeyZTAFXOUUKZHNQF-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.40
Rot. Bonds4

About N-cyclobutyl-5-(3-prop-1-enylhexa-3,5-dien-1-ynyl)pyridine-2-carboxamide

N-cyclobutyl-5-(3-prop-1-enylhexa-3,5-dien-1-ynyl)pyridine-2-carboxamide (PubChem CID 123485946) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is N-cyclobutyl-5-(3-prop-1-enylhexa-3,5-dien-1-ynyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-5-(3-prop-1-enylhexa-3,5-dien-1-ynyl)pyridine-2-carboxamide
PubChem CID123485946
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC NameN-cyclobutyl-5-(3-prop-1-enylhexa-3,5-dien-1-ynyl)pyridine-2-carboxamide
SMILESC=CC=C(C#Cc1ccc(C(=O)NC2CCC2)nc1)C=CC
InChIInChI=1S/C19H20N2O/c1-3-6-15(7-4-2)10-11-16-12-13-18(20-14-16)19(22)21-17-8-5-9-17/h3-4,6-7,12-14,17H,1,5,8-9H2,2H3,(H,21,22)
InChIKeyZTAFXOUUKZHNQF-UHFFFAOYSA-N
XLogP3.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclobutyl-5-[2-(3-fluorophenyl)ethynyl]pyridine-2-carboxamide
CID 53384850
N-cyclobutyl-5-[2-(3-fluorophenyl)ethynyl]pyridine-2-carboxamide;hydrochloride
CID 53384878
5-(3-aminoprop-1-ynyl)-N-cyclopentylpyridine-2-carboxamide
CID 62960645
N-cyclobutyl-5-methylpyridine-2-carboxamide
CID 170056265
5-(3-aminoprop-1-ynyl)-N-(4-ethylcyclohexyl)pyridine-2-carboxamide
CID 62954357
5-cyano-N-(3-ethylcyclohexyl)pyridine-2-carboxamide
CID 64748832
5-(3-hydroxyprop-1-ynyl)-N-(oxan-4-yl)pyridine-2-carboxamide
CID 62960061
2-N,5-N-dicyclohexylpyridine-2,5-dicarboxamide
CID 5195107
methyl 6-(cyclopentylcarbamoyl)pyridine-3-carboxylate
CID 31939115
5-carbamothioyl-N-cyclopentylpyridine-2-carboxamide
CID 55230781
5-(4-cyanoanilino)-N-cyclohexylpyridine-2-carboxamide
CID 109183058
5-cyano-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide
CID 64741358

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-5-(3-prop-1-enylhexa-3,5-dien-1-ynyl)pyridine-2-carboxamide?
The IUPAC name of N-cyclobutyl-5-(3-prop-1-enylhexa-3,5-dien-1-ynyl)pyridine-2-carboxamide (CID 123485946) is N-cyclobutyl-5-(3-prop-1-enylhexa-3,5-dien-1-ynyl)pyridine-2-carboxamide.
What is the SMILES notation for N-cyclobutyl-5-(3-prop-1-enylhexa-3,5-dien-1-ynyl)pyridine-2-carboxamide?
The canonical SMILES for N-cyclobutyl-5-(3-prop-1-enylhexa-3,5-dien-1-ynyl)pyridine-2-carboxamide is C=CC=C(C#Cc1ccc(C(=O)NC2CCC2)nc1)C=CC.
What is the InChIKey of N-cyclobutyl-5-(3-prop-1-enylhexa-3,5-dien-1-ynyl)pyridine-2-carboxamide?
The InChIKey is ZTAFXOUUKZHNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-3-6-15(7-4-2)10-11-16-12-13-18(20-14-16)19(22)21-17-8-5-9-17/h3-4,6-7,12-14,17H,1,5,8-9H2,2H3,(H,21,22).
What are the key properties of N-cyclobutyl-5-(3-prop-1-enylhexa-3,5-dien-1-ynyl)pyridine-2-carboxamide?
N-cyclobutyl-5-(3-prop-1-enylhexa-3,5-dien-1-ynyl)pyridine-2-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-5-(3-prop-1-enylhexa-3,5-dien-1-ynyl)pyridine-2-carboxamide is sourced from PubChem (CID 123485946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).