2-(3-phenylpropylamino)-N-quinolin-8-ylpyridine-4-carboxamide

C24H22N4O — CID 109174892

IUPAC2-(3-phenylpropylamino)-N-quinolin-8-ylpyridine-4-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1ccnc(NCCCc2ccccc2)c1
InChIInChI=1S/C24H22N4O/c29-24(28-21-12-4-10-19-11-6-15-27-23(19)21)20-13-16-26-22(17-20)25-14-5-9-18-7-2-1-3-8-18/h1-4,6-8,10-13,15-17H,5,9,14H2,(H,25,26)(H,28,29)
InChIKeyKOIVLTBLFQOFMS-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.93
Rot. Bonds7

About 2-(3-phenylpropylamino)-N-quinolin-8-ylpyridine-4-carboxamide

2-(3-phenylpropylamino)-N-quinolin-8-ylpyridine-4-carboxamide (PubChem CID 109174892) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 2-(3-phenylpropylamino)-N-quinolin-8-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3-phenylpropylamino)-N-quinolin-8-ylpyridine-4-carboxamide
PubChem CID109174892
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name2-(3-phenylpropylamino)-N-quinolin-8-ylpyridine-4-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1ccnc(NCCCc2ccccc2)c1
InChIInChI=1S/C24H22N4O/c29-24(28-21-12-4-10-19-11-6-15-27-23(19)21)20-13-16-26-22(17-20)25-14-5-9-18-7-2-1-3-8-18/h1-4,6-8,10-13,15-17H,5,9,14H2,(H,25,26)(H,28,29)
InChIKeyKOIVLTBLFQOFMS-UHFFFAOYSA-N
XLogP4.93
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenylethyl)-2-(quinolin-8-ylamino)pyridine-4-carboxamide
CID 109172233
2-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109174876
2-hydrazinyl-N-quinolin-8-ylpyridine-4-carboxamide
CID 62235936
N-benzyl-2-(3-phenylpropylamino)pyridine-4-carboxamide
CID 109169444
2-(2-methylanilino)-N-quinolin-8-ylpyridine-4-carboxamide
CID 109176218
4-(2-phenylethylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109213726
2-[benzyl(methyl)amino]-N-quinolin-8-ylpyridine-4-carboxamide
CID 109170363
4-N-benzyl-2-N-quinolin-8-ylpyridine-2,4-dicarboxamide
CID 109085380
2-(3-phenylpropylamino)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 109171827
N-(3-phenylpropyl)-2-(propylamino)pyridine-4-carboxamide
CID 109165110
2-[benzyl(ethyl)amino]-N-quinolin-8-ylpyridine-4-carboxamide
CID 109171613
2-benzamido-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 67153857

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpropylamino)-N-quinolin-8-ylpyridine-4-carboxamide?
The IUPAC name of 2-(3-phenylpropylamino)-N-quinolin-8-ylpyridine-4-carboxamide (CID 109174892) is 2-(3-phenylpropylamino)-N-quinolin-8-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-(3-phenylpropylamino)-N-quinolin-8-ylpyridine-4-carboxamide?
The canonical SMILES for 2-(3-phenylpropylamino)-N-quinolin-8-ylpyridine-4-carboxamide is O=C(Nc1cccc2cccnc12)c1ccnc(NCCCc2ccccc2)c1.
What is the InChIKey of 2-(3-phenylpropylamino)-N-quinolin-8-ylpyridine-4-carboxamide?
The InChIKey is KOIVLTBLFQOFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c29-24(28-21-12-4-10-19-11-6-15-27-23(19)21)20-13-16-26-22(17-20)25-14-5-9-18-7-2-1-3-8-18/h1-4,6-8,10-13,15-17H,5,9,14H2,(H,25,26)(H,28,29).
What are the key properties of 2-(3-phenylpropylamino)-N-quinolin-8-ylpyridine-4-carboxamide?
2-(3-phenylpropylamino)-N-quinolin-8-ylpyridine-4-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 4.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpropylamino)-N-quinolin-8-ylpyridine-4-carboxamide is sourced from PubChem (CID 109174892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).