5-(4-acetamidoanilino)-N-prop-2-enylpyridine-2-carboxamide

C17H18N4O2 — CID 109180372

IUPAC5-(4-acetamidoanilino)-N-prop-2-enylpyridine-2-carboxamide
SMILESC=CCNC(=O)c1ccc(Nc2ccc(NC(C)=O)cc2)cn1
InChIInChI=1S/C17H18N4O2/c1-3-10-18-17(23)16-9-8-15(11-19-16)21-14-6-4-13(5-7-14)20-12(2)22/h3-9,11,21H,1,10H2,2H3,(H,18,23)(H,20,22)
InChIKeyRMMCQLVZMNZZGX-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.70
Rot. Bonds6

About 5-(4-acetamidoanilino)-N-prop-2-enylpyridine-2-carboxamide

5-(4-acetamidoanilino)-N-prop-2-enylpyridine-2-carboxamide (PubChem CID 109180372) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 5-(4-acetamidoanilino)-N-prop-2-enylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-acetamidoanilino)-N-prop-2-enylpyridine-2-carboxamide
PubChem CID109180372
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name5-(4-acetamidoanilino)-N-prop-2-enylpyridine-2-carboxamide
SMILESC=CCNC(=O)c1ccc(Nc2ccc(NC(C)=O)cc2)cn1
InChIInChI=1S/C17H18N4O2/c1-3-10-18-17(23)16-9-8-15(11-19-16)21-14-6-4-13(5-7-14)20-12(2)22/h3-9,11,21H,1,10H2,2H3,(H,18,23)(H,20,22)
InChIKeyRMMCQLVZMNZZGX-UHFFFAOYSA-N
XLogP2.70
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-methylanilino)-N-prop-2-enylpyridine-2-carboxamide
CID 109180319
5-(3,5-dichloroanilino)-N-prop-2-enylpyridine-2-carboxamide
CID 109180409
5-(4-acetamidoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109191552
5-(4-acetamidoanilino)-N-[(4-chlorophenyl)methyl]pyridine-2-carboxamide
CID 109190050
5-(4-acetamidoanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109190978
2-N,5-N-bis(prop-2-enyl)pyridine-2,5-dicarboxamide
CID 4069560
5-(cyclopentylamino)-N-prop-2-enylpyridine-2-carboxamide
CID 109180232
5-(4-acetylanilino)-N-prop-2-enylpyrazine-2-carboxamide
CID 109272088
5-(4-chloro-2-methoxy-5-methylanilino)-N-prop-2-enylpyridine-2-carboxamide
CID 109180413
methyl 6-(prop-2-enylcarbamoyl)pyridine-3-carboxylate
CID 31824869
4-N-(4-acetamidophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043595
5-(4-acetamidoanilino)-N-cyclohexylpyridine-2-carboxamide
CID 109183029

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetamidoanilino)-N-prop-2-enylpyridine-2-carboxamide?
The IUPAC name of 5-(4-acetamidoanilino)-N-prop-2-enylpyridine-2-carboxamide (CID 109180372) is 5-(4-acetamidoanilino)-N-prop-2-enylpyridine-2-carboxamide.
What is the SMILES notation for 5-(4-acetamidoanilino)-N-prop-2-enylpyridine-2-carboxamide?
The canonical SMILES for 5-(4-acetamidoanilino)-N-prop-2-enylpyridine-2-carboxamide is C=CCNC(=O)c1ccc(Nc2ccc(NC(C)=O)cc2)cn1.
What is the InChIKey of 5-(4-acetamidoanilino)-N-prop-2-enylpyridine-2-carboxamide?
The InChIKey is RMMCQLVZMNZZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-3-10-18-17(23)16-9-8-15(11-19-16)21-14-6-4-13(5-7-14)20-12(2)22/h3-9,11,21H,1,10H2,2H3,(H,18,23)(H,20,22).
What are the key properties of 5-(4-acetamidoanilino)-N-prop-2-enylpyridine-2-carboxamide?
5-(4-acetamidoanilino)-N-prop-2-enylpyridine-2-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 2.70, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetamidoanilino)-N-prop-2-enylpyridine-2-carboxamide is sourced from PubChem (CID 109180372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).