4-(N-methylanilino)-N-prop-2-enylpyridine-2-carboxamide

C16H17N3O — CID 109202165

IUPAC4-(N-methylanilino)-N-prop-2-enylpyridine-2-carboxamide
SMILESC=CCNC(=O)c1cc(N(C)c2ccccc2)ccn1
InChIInChI=1S/C16H17N3O/c1-3-10-18-16(20)15-12-14(9-11-17-15)19(2)13-7-5-4-6-8-13/h3-9,11-12H,1,10H2,2H3,(H,18,20)
InChIKeyPGABFEHDHLWGGF-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.77
Rot. Bonds5

About 4-(N-methylanilino)-N-prop-2-enylpyridine-2-carboxamide

4-(N-methylanilino)-N-prop-2-enylpyridine-2-carboxamide (PubChem CID 109202165) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-(N-methylanilino)-N-prop-2-enylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(N-methylanilino)-N-prop-2-enylpyridine-2-carboxamide
PubChem CID109202165
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name4-(N-methylanilino)-N-prop-2-enylpyridine-2-carboxamide
SMILESC=CCNC(=O)c1cc(N(C)c2ccccc2)ccn1
InChIInChI=1S/C16H17N3O/c1-3-10-18-16(20)15-12-14(9-11-17-15)19(2)13-7-5-4-6-8-13/h3-9,11-12H,1,10H2,2H3,(H,18,20)
InChIKeyPGABFEHDHLWGGF-UHFFFAOYSA-N
XLogP2.77
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-4-(N-methylanilino)pyridine-2-carboxamide
CID 109207788
N-[4-(diethylamino)phenyl]-4-(N-methylanilino)pyridine-2-carboxamide
CID 109219474
4-(N-methylanilino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109219436
4-(4-phenylpiperazin-1-yl)-N-prop-2-enylpyridine-2-carboxamide
CID 109202122
N-(2-methoxyphenyl)-4-(N-methylanilino)pyridine-2-carboxamide
CID 109219451
2-N-(2-phenylethyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078831
4-(2-ethylanilino)-N-prop-2-enylpyridine-2-carboxamide
CID 109202174
N-(3-bromo-4-methylphenyl)-4-(N-methylanilino)pyridine-2-carboxamide
CID 109219450
4-N-tert-butyl-2-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109079060
4-(N-benzylanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109205803
2-N-(3-phenylpropyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078863
4-(2-propan-2-ylanilino)-N-prop-2-enylpyridine-2-carboxamide
CID 109202178

Frequently Asked Questions

What is the IUPAC name of 4-(N-methylanilino)-N-prop-2-enylpyridine-2-carboxamide?
The IUPAC name of 4-(N-methylanilino)-N-prop-2-enylpyridine-2-carboxamide (CID 109202165) is 4-(N-methylanilino)-N-prop-2-enylpyridine-2-carboxamide.
What is the SMILES notation for 4-(N-methylanilino)-N-prop-2-enylpyridine-2-carboxamide?
The canonical SMILES for 4-(N-methylanilino)-N-prop-2-enylpyridine-2-carboxamide is C=CCNC(=O)c1cc(N(C)c2ccccc2)ccn1.
What is the InChIKey of 4-(N-methylanilino)-N-prop-2-enylpyridine-2-carboxamide?
The InChIKey is PGABFEHDHLWGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-3-10-18-16(20)15-12-14(9-11-17-15)19(2)13-7-5-4-6-8-13/h3-9,11-12H,1,10H2,2H3,(H,18,20).
What are the key properties of 4-(N-methylanilino)-N-prop-2-enylpyridine-2-carboxamide?
4-(N-methylanilino)-N-prop-2-enylpyridine-2-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-methylanilino)-N-prop-2-enylpyridine-2-carboxamide is sourced from PubChem (CID 109202165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).