2-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyridine-4-carboxamide

C24H27N3O2 — CID 109174876

IUPAC2-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyridine-4-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1ccnc(NCCCc2ccccc2)c1
InChIInChI=1S/C24H27N3O2/c1-18(2)29-22-13-7-6-12-21(22)27-24(28)20-14-16-26-23(17-20)25-15-8-11-19-9-4-3-5-10-19/h3-7,9-10,12-14,16-18H,8,11,15H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyGACZRZYETWGMAG-UHFFFAOYSA-N
MW389.50 g/mol
LogP5.17
Rot. Bonds9

About 2-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyridine-4-carboxamide

2-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyridine-4-carboxamide (PubChem CID 109174876) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyridine-4-carboxamide
PubChem CID109174876
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name2-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyridine-4-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1ccnc(NCCCc2ccccc2)c1
InChIInChI=1S/C24H27N3O2/c1-18(2)29-22-13-7-6-12-21(22)27-24(28)20-14-16-26-23(17-20)25-15-8-11-19-9-4-3-5-10-19/h3-7,9-10,12-14,16-18H,8,11,15H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyGACZRZYETWGMAG-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-(2-propan-2-yloxyphenyl)-2-(prop-2-enylamino)pyridine-4-carboxamide
CID 109165373
2-[2-(cyclohexen-1-yl)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109166704
5-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109194927
2-(3-phenylpropylamino)-N-quinolin-8-ylpyridine-4-carboxamide
CID 109174892
N-(2-methoxyphenyl)-2-(2-propan-2-yloxyanilino)pyridine-4-carboxamide
CID 109177874
2-(butylamino)-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 109165599
N-benzyl-2-(3-phenylpropylamino)pyridine-4-carboxamide
CID 109169444
N-(2-ethoxyphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109172694
N-(3-phenylpropyl)-2-(propylamino)pyridine-4-carboxamide
CID 109165110
2-N-propan-2-yl-4-N-(2-propan-2-yloxyphenyl)pyridine-2,4-dicarboxamide
CID 109078339
N-benzyl-N-methyl-2-(2-propan-2-yloxyanilino)pyridine-4-carboxamide
CID 109170258

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyridine-4-carboxamide (CID 109174876) is 2-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyridine-4-carboxamide is CC(C)Oc1ccccc1NC(=O)c1ccnc(NCCCc2ccccc2)c1.
What is the InChIKey of 2-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyridine-4-carboxamide?
The InChIKey is GACZRZYETWGMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-18(2)29-22-13-7-6-12-21(22)27-24(28)20-14-16-26-23(17-20)25-15-8-11-19-9-4-3-5-10-19/h3-7,9-10,12-14,16-18H,8,11,15H2,1-2H3,(H,25,26)(H,27,28).
What are the key properties of 2-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyridine-4-carboxamide?
2-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyridine-4-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 2-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109174876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).