N-(2-amino-1-phenylethyl)-3-methoxypyridine-4-carboxamide

C15H17N3O2 — CID 105064640

IUPACN-(2-amino-1-phenylethyl)-3-methoxypyridine-4-carboxamide
SMILESCOc1cnccc1C(=O)NC(CN)c1ccccc1
InChIInChI=1S/C15H17N3O2/c1-20-14-10-17-8-7-12(14)15(19)18-13(9-16)11-5-3-2-4-6-11/h2-8,10,13H,9,16H2,1H3,(H,18,19)
InChIKeyUTFWCDMQRCTKCF-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.52
Rot. Bonds5

About N-(2-amino-1-phenylethyl)-3-methoxypyridine-4-carboxamide

N-(2-amino-1-phenylethyl)-3-methoxypyridine-4-carboxamide (PubChem CID 105064640) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(2-amino-1-phenylethyl)-3-methoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-phenylethyl)-3-methoxypyridine-4-carboxamide
PubChem CID105064640
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-(2-amino-1-phenylethyl)-3-methoxypyridine-4-carboxamide
SMILESCOc1cnccc1C(=O)NC(CN)c1ccccc1
InChIInChI=1S/C15H17N3O2/c1-20-14-10-17-8-7-12(14)15(19)18-13(9-16)11-5-3-2-4-6-11/h2-8,10,13H,9,16H2,1H3,(H,18,19)
InChIKeyUTFWCDMQRCTKCF-UHFFFAOYSA-N
XLogP1.52
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(3-methoxypyridine-4-carbonyl)amino]-2-phenylacetic acid
CID 105063312
N-(2-amino-1-phenylethyl)-2-hydroxy-3-methoxybenzamide
CID 63753586
4-amino-2-[(3-methoxypyridine-4-carbonyl)amino]-4-oxobutanoic acid
CID 105063070
3-[(3-methoxypyridine-4-carbonyl)amino]pentanoic acid
CID 105063292
N-(1-chloropropan-2-yl)-3-methoxypyridine-4-carboxamide
CID 105064527
N-(2-amino-1-phenylethyl)-2-fluoro-6-methoxybenzamide
CID 65432150
(2R)-2-[(3-methoxypyridine-4-carbonyl)amino]-4-methylpentanoic acid
CID 105063148
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxybenzamide
CID 39370043
(2R)-2-[(3-methoxypyridine-4-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 105063303
3-methoxy-N-(3-oxopentan-2-yl)pyridine-4-carboxamide
CID 105063550
N-(2-amino-1-phenylethyl)-2-hydroxybenzamide
CID 55242924
3-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide
CID 113356364

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-phenylethyl)-3-methoxypyridine-4-carboxamide?
The IUPAC name of N-(2-amino-1-phenylethyl)-3-methoxypyridine-4-carboxamide (CID 105064640) is N-(2-amino-1-phenylethyl)-3-methoxypyridine-4-carboxamide.
What is the SMILES notation for N-(2-amino-1-phenylethyl)-3-methoxypyridine-4-carboxamide?
The canonical SMILES for N-(2-amino-1-phenylethyl)-3-methoxypyridine-4-carboxamide is COc1cnccc1C(=O)NC(CN)c1ccccc1.
What is the InChIKey of N-(2-amino-1-phenylethyl)-3-methoxypyridine-4-carboxamide?
The InChIKey is UTFWCDMQRCTKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-20-14-10-17-8-7-12(14)15(19)18-13(9-16)11-5-3-2-4-6-11/h2-8,10,13H,9,16H2,1H3,(H,18,19).
What are the key properties of N-(2-amino-1-phenylethyl)-3-methoxypyridine-4-carboxamide?
N-(2-amino-1-phenylethyl)-3-methoxypyridine-4-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-phenylethyl)-3-methoxypyridine-4-carboxamide is sourced from PubChem (CID 105064640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).