N-(2-propan-2-yloxyphenyl)-2-(prop-2-enylamino)pyridine-4-carboxamide

C18H21N3O2 — CID 109165373

IUPACN-(2-propan-2-yloxyphenyl)-2-(prop-2-enylamino)pyridine-4-carboxamide
SMILESC=CCNc1cc(C(=O)Nc2ccccc2OC(C)C)ccn1
InChIInChI=1S/C18H21N3O2/c1-4-10-19-17-12-14(9-11-20-17)18(22)21-15-7-5-6-8-16(15)23-13(2)3/h4-9,11-13H,1,10H2,2-3H3,(H,19,20)(H,21,22)
InChIKeyQLFJUTICGRYGDQ-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.72
Rot. Bonds7

About N-(2-propan-2-yloxyphenyl)-2-(prop-2-enylamino)pyridine-4-carboxamide

N-(2-propan-2-yloxyphenyl)-2-(prop-2-enylamino)pyridine-4-carboxamide (PubChem CID 109165373) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-(2-propan-2-yloxyphenyl)-2-(prop-2-enylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-propan-2-yloxyphenyl)-2-(prop-2-enylamino)pyridine-4-carboxamide
PubChem CID109165373
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-(2-propan-2-yloxyphenyl)-2-(prop-2-enylamino)pyridine-4-carboxamide
SMILESC=CCNc1cc(C(=O)Nc2ccccc2OC(C)C)ccn1
InChIInChI=1S/C18H21N3O2/c1-4-10-19-17-12-14(9-11-20-17)18(22)21-15-7-5-6-8-16(15)23-13(2)3/h4-9,11-13H,1,10H2,2-3H3,(H,19,20)(H,21,22)
InChIKeyQLFJUTICGRYGDQ-UHFFFAOYSA-N
XLogP3.72
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109174876
N-(2-methoxyphenyl)-2-(2-propan-2-yloxyanilino)pyridine-4-carboxamide
CID 109177874
2-[2-(cyclohexen-1-yl)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109166704
2-N-propan-2-yl-4-N-(2-propan-2-yloxyphenyl)pyridine-2,4-dicarboxamide
CID 109078339
N-(3-acetylphenyl)-2-(2-propan-2-yloxyanilino)pyridine-4-carboxamide
CID 109178282
6-N-(2-propan-2-yloxyphenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide
CID 109094133
1-(2-propan-2-yloxyphenyl)-3-prop-2-enylurea
CID 47221939
4-N-(2-propan-2-yloxyphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087668
2-(butylamino)-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 109165599
1-N-phenyl-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109049242
N-(2-methoxyphenyl)-2-(prop-2-enylamino)pyrimidine-5-carboxamide
CID 109247975
3-methyl-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150877

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yloxyphenyl)-2-(prop-2-enylamino)pyridine-4-carboxamide?
The IUPAC name of N-(2-propan-2-yloxyphenyl)-2-(prop-2-enylamino)pyridine-4-carboxamide (CID 109165373) is N-(2-propan-2-yloxyphenyl)-2-(prop-2-enylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-propan-2-yloxyphenyl)-2-(prop-2-enylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(2-propan-2-yloxyphenyl)-2-(prop-2-enylamino)pyridine-4-carboxamide is C=CCNc1cc(C(=O)Nc2ccccc2OC(C)C)ccn1.
What is the InChIKey of N-(2-propan-2-yloxyphenyl)-2-(prop-2-enylamino)pyridine-4-carboxamide?
The InChIKey is QLFJUTICGRYGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-4-10-19-17-12-14(9-11-20-17)18(22)21-15-7-5-6-8-16(15)23-13(2)3/h4-9,11-13H,1,10H2,2-3H3,(H,19,20)(H,21,22).
What are the key properties of N-(2-propan-2-yloxyphenyl)-2-(prop-2-enylamino)pyridine-4-carboxamide?
N-(2-propan-2-yloxyphenyl)-2-(prop-2-enylamino)pyridine-4-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yloxyphenyl)-2-(prop-2-enylamino)pyridine-4-carboxamide is sourced from PubChem (CID 109165373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).