N-prop-2-enyl-4-(quinolin-8-ylamino)pyridine-2-carboxamide

C18H16N4O — CID 109202242

IUPACN-prop-2-enyl-4-(quinolin-8-ylamino)pyridine-2-carboxamide
SMILESC=CCNC(=O)c1cc(Nc2cccc3cccnc23)ccn1
InChIInChI=1S/C18H16N4O/c1-2-9-21-18(23)16-12-14(8-11-19-16)22-15-7-3-5-13-6-4-10-20-17(13)15/h2-8,10-12H,1,9H2,(H,19,22)(H,21,23)
InChIKeyFFYCWKHAMGCZPQ-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.29
Rot. Bonds5

About N-prop-2-enyl-4-(quinolin-8-ylamino)pyridine-2-carboxamide

N-prop-2-enyl-4-(quinolin-8-ylamino)pyridine-2-carboxamide (PubChem CID 109202242) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is N-prop-2-enyl-4-(quinolin-8-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-prop-2-enyl-4-(quinolin-8-ylamino)pyridine-2-carboxamide
PubChem CID109202242
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC NameN-prop-2-enyl-4-(quinolin-8-ylamino)pyridine-2-carboxamide
SMILESC=CCNC(=O)c1cc(Nc2cccc3cccnc23)ccn1
InChIInChI=1S/C18H16N4O/c1-2-9-21-18(23)16-12-14(8-11-19-16)22-15-7-3-5-13-6-4-10-20-17(13)15/h2-8,10-12H,1,9H2,(H,19,22)(H,21,23)
InChIKeyFFYCWKHAMGCZPQ-UHFFFAOYSA-N
XLogP3.29
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.29
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-N-prop-2-enyl-4-N-quinolin-8-ylpyridine-2,4-dicarboxamide
CID 109079155
N-[(4-methylphenyl)methyl]-4-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109210497
N-[(4-fluorophenyl)methyl]-4-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109211474
4-(2-ethylanilino)-N-prop-2-enylpyridine-2-carboxamide
CID 109202174
N-propan-2-yl-4-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109201456
4-(2-propan-2-ylanilino)-N-prop-2-enylpyridine-2-carboxamide
CID 109202178
4-(3-chloro-2-methylanilino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109221140
piperidin-1-yl-[4-(quinolin-8-ylamino)-2-pyridinyl]methanone
CID 109204521
4-hydrazinyl-N-quinolin-8-ylpyridine-2-carboxamide
CID 62235747
N-(2-propan-2-yloxyphenyl)-4-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109221912
N-benzyl-N-propan-2-yl-4-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109217230
4-(4-methoxyanilino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109221716

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-4-(quinolin-8-ylamino)pyridine-2-carboxamide?
The IUPAC name of N-prop-2-enyl-4-(quinolin-8-ylamino)pyridine-2-carboxamide (CID 109202242) is N-prop-2-enyl-4-(quinolin-8-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-prop-2-enyl-4-(quinolin-8-ylamino)pyridine-2-carboxamide?
The canonical SMILES for N-prop-2-enyl-4-(quinolin-8-ylamino)pyridine-2-carboxamide is C=CCNC(=O)c1cc(Nc2cccc3cccnc23)ccn1.
What is the InChIKey of N-prop-2-enyl-4-(quinolin-8-ylamino)pyridine-2-carboxamide?
The InChIKey is FFYCWKHAMGCZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-2-9-21-18(23)16-12-14(8-11-19-16)22-15-7-3-5-13-6-4-10-20-17(13)15/h2-8,10-12H,1,9H2,(H,19,22)(H,21,23).
What are the key properties of N-prop-2-enyl-4-(quinolin-8-ylamino)pyridine-2-carboxamide?
N-prop-2-enyl-4-(quinolin-8-ylamino)pyridine-2-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-4-(quinolin-8-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109202242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).