2-(oxolan-2-ylmethylamino)-N-(1-phenylethyl)pyridine-4-carboxamide

C19H23N3O2 — CID 109167544

IUPAC2-(oxolan-2-ylmethylamino)-N-(1-phenylethyl)pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(NCC2CCCO2)c1)c1ccccc1
InChIInChI=1S/C19H23N3O2/c1-14(15-6-3-2-4-7-15)22-19(23)16-9-10-20-18(12-16)21-13-17-8-5-11-24-17/h2-4,6-7,9-10,12,14,17H,5,8,11,13H2,1H3,(H,20,21)(H,22,23)
InChIKeyMVGMBKYSQWCFQC-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.16
Rot. Bonds6

About 2-(oxolan-2-ylmethylamino)-N-(1-phenylethyl)pyridine-4-carboxamide

2-(oxolan-2-ylmethylamino)-N-(1-phenylethyl)pyridine-4-carboxamide (PubChem CID 109167544) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylamino)-N-(1-phenylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylamino)-N-(1-phenylethyl)pyridine-4-carboxamide
PubChem CID109167544
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-(oxolan-2-ylmethylamino)-N-(1-phenylethyl)pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(NCC2CCCO2)c1)c1ccccc1
InChIInChI=1S/C19H23N3O2/c1-14(15-6-3-2-4-7-15)22-19(23)16-9-10-20-18(12-16)21-13-17-8-5-11-24-17/h2-4,6-7,9-10,12,14,17H,5,8,11,13H2,1H3,(H,20,21)(H,22,23)
InChIKeyMVGMBKYSQWCFQC-UHFFFAOYSA-N
XLogP3.16
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyethylamino)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 109166864
6-N-(oxolan-2-ylmethyl)-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112857200
2-(2-morpholin-4-ylethylamino)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 109168033
4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-(1-phenylethyl)benzamide
CID 55346360
N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzamide
CID 54836830
2-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 109165889
2-[2-(cyclohexen-1-yl)ethylamino]-N-(1-phenylethyl)pyridine-4-carboxamide
CID 109166653
N-[2-(4-methoxyphenoxy)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide
CID 109167576
4-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid
CID 115730036
3-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54842128
N-[2-(4-fluorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide
CID 109167551
N-[2-(4-chlorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide
CID 109167563

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethylamino)-N-(1-phenylethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(oxolan-2-ylmethylamino)-N-(1-phenylethyl)pyridine-4-carboxamide (CID 109167544) is 2-(oxolan-2-ylmethylamino)-N-(1-phenylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(oxolan-2-ylmethylamino)-N-(1-phenylethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(oxolan-2-ylmethylamino)-N-(1-phenylethyl)pyridine-4-carboxamide is CC(NC(=O)c1ccnc(NCC2CCCO2)c1)c1ccccc1.
What is the InChIKey of 2-(oxolan-2-ylmethylamino)-N-(1-phenylethyl)pyridine-4-carboxamide?
The InChIKey is MVGMBKYSQWCFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14(15-6-3-2-4-7-15)22-19(23)16-9-10-20-18(12-16)21-13-17-8-5-11-24-17/h2-4,6-7,9-10,12,14,17H,5,8,11,13H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 2-(oxolan-2-ylmethylamino)-N-(1-phenylethyl)pyridine-4-carboxamide?
2-(oxolan-2-ylmethylamino)-N-(1-phenylethyl)pyridine-4-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethylamino)-N-(1-phenylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 109167544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).