2-N-prop-2-enyl-4-N-quinolin-8-ylpyridine-2,4-dicarboxamide

C19H16N4O2 — CID 109079155

IUPAC2-N-prop-2-enyl-4-N-quinolin-8-ylpyridine-2,4-dicarboxamide
SMILESC=CCNC(=O)c1cc(C(=O)Nc2cccc3cccnc23)ccn1
InChIInChI=1S/C19H16N4O2/c1-2-9-22-19(25)16-12-14(8-11-20-16)18(24)23-15-7-3-5-13-6-4-10-21-17(13)15/h2-8,10-12H,1,9H2,(H,22,25)(H,23,24)
InChIKeyROCAJPHWQHPHLR-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.80
Rot. Bonds5

About 2-N-prop-2-enyl-4-N-quinolin-8-ylpyridine-2,4-dicarboxamide

2-N-prop-2-enyl-4-N-quinolin-8-ylpyridine-2,4-dicarboxamide (PubChem CID 109079155) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-N-prop-2-enyl-4-N-quinolin-8-ylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-prop-2-enyl-4-N-quinolin-8-ylpyridine-2,4-dicarboxamide
PubChem CID109079155
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name2-N-prop-2-enyl-4-N-quinolin-8-ylpyridine-2,4-dicarboxamide
SMILESC=CCNC(=O)c1cc(C(=O)Nc2cccc3cccnc23)ccn1
InChIInChI=1S/C19H16N4O2/c1-2-9-22-19(25)16-12-14(8-11-20-16)18(24)23-15-7-3-5-13-6-4-10-21-17(13)15/h2-8,10-12H,1,9H2,(H,22,25)(H,23,24)
InChIKeyROCAJPHWQHPHLR-UHFFFAOYSA-N
XLogP2.80
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.80
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

N-prop-2-enyl-4-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109202242
2-N-(4-methoxyphenyl)-4-N-quinolin-8-ylpyridine-2,4-dicarboxamide
CID 109093095
4-N-(2-propan-2-ylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109079091
4-N-benzyl-2-N-quinolin-8-ylpyridine-2,4-dicarboxamide
CID 109085380
2-N-(2-fluorophenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078904
2-N-(3-methylphenyl)-4-N-quinolin-8-ylpyridine-2,4-dicarboxamide
CID 109091249
2-hydrazinyl-N-quinolin-8-ylpyridine-4-carboxamide
CID 62235936
4-N-(2,4-dimethylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109079081
ethyl 2-[[2-(prop-2-enylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
CID 109079172
2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-quinolin-8-ylpyridine-2,4-dicarboxamide
CID 109093313
4-N-(4-acetylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109079128
4-N-(3-cyanophenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109079174

Frequently Asked Questions

What is the IUPAC name of 2-N-prop-2-enyl-4-N-quinolin-8-ylpyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-prop-2-enyl-4-N-quinolin-8-ylpyridine-2,4-dicarboxamide (CID 109079155) is 2-N-prop-2-enyl-4-N-quinolin-8-ylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-prop-2-enyl-4-N-quinolin-8-ylpyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-prop-2-enyl-4-N-quinolin-8-ylpyridine-2,4-dicarboxamide is C=CCNC(=O)c1cc(C(=O)Nc2cccc3cccnc23)ccn1.
What is the InChIKey of 2-N-prop-2-enyl-4-N-quinolin-8-ylpyridine-2,4-dicarboxamide?
The InChIKey is ROCAJPHWQHPHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-2-9-22-19(25)16-12-14(8-11-20-16)18(24)23-15-7-3-5-13-6-4-10-21-17(13)15/h2-8,10-12H,1,9H2,(H,22,25)(H,23,24).
What are the key properties of 2-N-prop-2-enyl-4-N-quinolin-8-ylpyridine-2,4-dicarboxamide?
2-N-prop-2-enyl-4-N-quinolin-8-ylpyridine-2,4-dicarboxamide has a molecular weight of 332.36 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-prop-2-enyl-4-N-quinolin-8-ylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109079155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).