5-(2-phenylethylamino)-N-propylpyridine-2-carboxamide

C17H21N3O — CID 109179079

IUPAC5-(2-phenylethylamino)-N-propylpyridine-2-carboxamide
SMILESCCCNC(=O)c1ccc(NCCc2ccccc2)cn1
InChIInChI=1S/C17H21N3O/c1-2-11-19-17(21)16-9-8-15(13-20-16)18-12-10-14-6-4-3-5-7-14/h3-9,13,18H,2,10-12H2,1H3,(H,19,21)
InChIKeyBQYMLEMEKOGKCW-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.88
Rot. Bonds7

About 5-(2-phenylethylamino)-N-propylpyridine-2-carboxamide

5-(2-phenylethylamino)-N-propylpyridine-2-carboxamide (PubChem CID 109179079) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 5-(2-phenylethylamino)-N-propylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(2-phenylethylamino)-N-propylpyridine-2-carboxamide
PubChem CID109179079
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name5-(2-phenylethylamino)-N-propylpyridine-2-carboxamide
SMILESCCCNC(=O)c1ccc(NCCc2ccccc2)cn1
InChIInChI=1S/C17H21N3O/c1-2-11-19-17(21)16-9-8-15(13-20-16)18-12-10-14-6-4-3-5-7-14/h3-9,13,18H,2,10-12H2,1H3,(H,19,21)
InChIKeyBQYMLEMEKOGKCW-UHFFFAOYSA-N
XLogP2.88
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191849
5-(pentylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109194843
N-[2-(2-fluorophenyl)ethyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191848
5-[3-(dimethylamino)propylamino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109186106
N-[2-(4-fluorophenyl)ethyl]-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109192324
N-[(2-methoxyphenyl)methyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109190160
N-[(3-methylphenyl)methyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109188383
5-(4-fluoroanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109191792
5-(2-methoxyethylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109184071
5-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 104639698
N-(2-phenylethyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191597
N-butyl-5-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109180664

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylethylamino)-N-propylpyridine-2-carboxamide?
The IUPAC name of 5-(2-phenylethylamino)-N-propylpyridine-2-carboxamide (CID 109179079) is 5-(2-phenylethylamino)-N-propylpyridine-2-carboxamide.
What is the SMILES notation for 5-(2-phenylethylamino)-N-propylpyridine-2-carboxamide?
The canonical SMILES for 5-(2-phenylethylamino)-N-propylpyridine-2-carboxamide is CCCNC(=O)c1ccc(NCCc2ccccc2)cn1.
What is the InChIKey of 5-(2-phenylethylamino)-N-propylpyridine-2-carboxamide?
The InChIKey is BQYMLEMEKOGKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-2-11-19-17(21)16-9-8-15(13-20-16)18-12-10-14-6-4-3-5-7-14/h3-9,13,18H,2,10-12H2,1H3,(H,19,21).
What are the key properties of 5-(2-phenylethylamino)-N-propylpyridine-2-carboxamide?
5-(2-phenylethylamino)-N-propylpyridine-2-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylethylamino)-N-propylpyridine-2-carboxamide is sourced from PubChem (CID 109179079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).