N-(3,4-dimethoxyphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide

C17H19N3O3 — CID 109224281

IUPACN-(3,4-dimethoxyphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
SMILESC=CCNc1cncc(C(=O)Nc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C17H19N3O3/c1-4-7-19-14-8-12(10-18-11-14)17(21)20-13-5-6-15(22-2)16(9-13)23-3/h4-6,8-11,19H,1,7H2,2-3H3,(H,20,21)
InChIKeyFVURLZZJYHPROH-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.95
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide

N-(3,4-dimethoxyphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide (PubChem CID 109224281) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
PubChem CID109224281
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-(3,4-dimethoxyphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
SMILESC=CCNc1cncc(C(=O)Nc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C17H19N3O3/c1-4-7-19-14-8-12(10-18-11-14)17(21)20-13-5-6-15(22-2)16(9-13)23-3/h4-6,8-11,19H,1,7H2,2-3H3,(H,20,21)
InChIKeyFVURLZZJYHPROH-UHFFFAOYSA-N
XLogP2.95
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224241
N-(3,4-dimethoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235722
3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzamide
CID 112980100
N-(3-bromo-4-methylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224270
N-(3,4-dimethoxyphenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232444
5-[(3,4-dimethoxyphenyl)methylamino]-N-(3,4-dimethylphenyl)pyridine-3-carboxamide
CID 109237942
5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109237774
5-(prop-2-enylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109224296
N-(2-methoxyethyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224153
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224318
N-(2-methylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224233
N-(4-chloro-2-methylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224263

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide (CID 109224281) is N-(3,4-dimethoxyphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide is C=CCNc1cncc(C(=O)Nc2ccc(OC)c(OC)c2)c1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide?
The InChIKey is FVURLZZJYHPROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-4-7-19-14-8-12(10-18-11-14)17(21)20-13-5-6-15(22-2)16(9-13)23-3/h4-6,8-11,19H,1,7H2,2-3H3,(H,20,21).
What are the key properties of N-(3,4-dimethoxyphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide?
N-(3,4-dimethoxyphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109224281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).