N-(2-phenylethyl)-2-(propylamino)pyridine-3-carboxamide

C17H21N3O — CID 62167056

IUPACN-(2-phenylethyl)-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C17H21N3O/c1-2-11-18-16-15(9-6-12-19-16)17(21)20-13-10-14-7-4-3-5-8-14/h3-9,12H,2,10-11,13H2,1H3,(H,18,19)(H,20,21)
InChIKeyBKRXHPBTFSTMHG-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.88
Rot. Bonds7

About N-(2-phenylethyl)-2-(propylamino)pyridine-3-carboxamide

N-(2-phenylethyl)-2-(propylamino)pyridine-3-carboxamide (PubChem CID 62167056) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-(propylamino)pyridine-3-carboxamide
PubChem CID62167056
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-(2-phenylethyl)-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C17H21N3O/c1-2-11-18-16-15(9-6-12-19-16)17(21)20-13-10-14-7-4-3-5-8-14/h3-9,12H,2,10-11,13H2,1H3,(H,18,19)(H,20,21)
InChIKeyBKRXHPBTFSTMHG-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-(1-methylpyrazol-4-yl)ethyl]-2-(propylamino)pyridine-3-carboxamide
CID 80691532
N-(2-methylsulfanylethyl)-2-(propylamino)pyridine-3-carboxamide
CID 63961240
2-(2-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 1440949
N-[2-(methanesulfonamido)ethyl]-2-(propylamino)pyridine-3-carboxamide
CID 62168878
N-(2-propan-2-yloxyethyl)-2-(propylamino)pyridine-3-carboxamide
CID 104765522
N-(3-propoxypropyl)-2-(propylamino)pyridine-3-carboxamide
CID 82946727
N-[(3-fluorophenyl)methyl]-2-(propylamino)pyridine-3-carboxamide
CID 62166991
2-(ethylamino)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 62173151
N-(2-methyl-2-methylsulfonylpropyl)-2-(propylamino)pyridine-3-carboxamide
CID 79557910
2-hydrazinyl-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 62237813
N-(cyclopentylmethyl)-2-(propylamino)pyridine-3-carboxamide
CID 62168476
2-(propylamino)pyridine-3-carboxylate
CID 22068597

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-(propylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2-phenylethyl)-2-(propylamino)pyridine-3-carboxamide (CID 62167056) is N-(2-phenylethyl)-2-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-2-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-2-(propylamino)pyridine-3-carboxamide is CCCNc1ncccc1C(=O)NCCc1ccccc1.
What is the InChIKey of N-(2-phenylethyl)-2-(propylamino)pyridine-3-carboxamide?
The InChIKey is BKRXHPBTFSTMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-2-11-18-16-15(9-6-12-19-16)17(21)20-13-10-14-7-4-3-5-8-14/h3-9,12H,2,10-11,13H2,1H3,(H,18,19)(H,20,21).
What are the key properties of N-(2-phenylethyl)-2-(propylamino)pyridine-3-carboxamide?
N-(2-phenylethyl)-2-(propylamino)pyridine-3-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 N-(2-phenylethyl)-2-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62167056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).