5-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide

C24H27N3O2 — CID 109194927

IUPAC5-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1ccc(NCCCc2ccccc2)cn1
InChIInChI=1S/C24H27N3O2/c1-18(2)29-23-13-7-6-12-21(23)27-24(28)22-15-14-20(17-26-22)25-16-8-11-19-9-4-3-5-10-19/h3-7,9-10,12-15,17-18,25H,8,11,16H2,1-2H3,(H,27,28)
InChIKeyCEWLROKRCKNGRV-UHFFFAOYSA-N
MW389.50 g/mol
LogP5.17
Rot. Bonds9

About 5-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide

5-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide (PubChem CID 109194927) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 5-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
PubChem CID109194927
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name5-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1ccc(NCCCc2ccccc2)cn1
InChIInChI=1S/C24H27N3O2/c1-18(2)29-23-13-7-6-12-21(23)27-24(28)22-15-14-20(17-26-22)25-16-8-11-19-9-4-3-5-10-19/h3-7,9-10,12-15,17-18,25H,8,11,16H2,1-2H3,(H,27,28)
InChIKeyCEWLROKRCKNGRV-UHFFFAOYSA-N
XLogP5.17
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 55.17
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

6-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109353551
N-(4-acetamidophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109194935
2-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109174876
5-(2-phenylethylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109191897
5-[2-(4-fluorophenyl)ethylamino]-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109284560
N-(3-fluorophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109194940
4-[2-(4-fluorophenyl)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109214232
N-(5-methyl-1,2-oxazol-3-yl)-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109194952
N-(4-fluorophenyl)-5-(2-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109198964
N-(3-chloro-4-fluorophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109194918
5-(pentylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109194843
5-(2-methoxyethylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109184071

Frequently Asked Questions

What is the IUPAC name of 5-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide (CID 109194927) is 5-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide is CC(C)Oc1ccccc1NC(=O)c1ccc(NCCCc2ccccc2)cn1.
What is the InChIKey of 5-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide?
The InChIKey is CEWLROKRCKNGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-18(2)29-23-13-7-6-12-21(23)27-24(28)22-15-14-20(17-26-22)25-16-8-11-19-9-4-3-5-10-19/h3-7,9-10,12-15,17-18,25H,8,11,16H2,1-2H3,(H,27,28).
What are the key properties of 5-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide?
5-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 5.17, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109194927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).