N-(3-amino-3-oxopropyl)-N-benzyl-2-methoxypyridine-3-carboxamide

C17H19N3O3 — CID 134003290

IUPACN-(3-amino-3-oxopropyl)-N-benzyl-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)N(CCC(N)=O)Cc1ccccc1
InChIInChI=1S/C17H19N3O3/c1-23-16-14(8-5-10-19-16)17(22)20(11-9-15(18)21)12-13-6-3-2-4-7-13/h2-8,10H,9,11-12H2,1H3,(H2,18,21)
InChIKeyLNYWEMLZKMNZOU-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.61
Rot. Bonds7

About N-(3-amino-3-oxopropyl)-N-benzyl-2-methoxypyridine-3-carboxamide

N-(3-amino-3-oxopropyl)-N-benzyl-2-methoxypyridine-3-carboxamide (PubChem CID 134003290) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-N-benzyl-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-N-benzyl-2-methoxypyridine-3-carboxamide
PubChem CID134003290
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-(3-amino-3-oxopropyl)-N-benzyl-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)N(CCC(N)=O)Cc1ccccc1
InChIInChI=1S/C17H19N3O3/c1-23-16-14(8-5-10-19-16)17(22)20(11-9-15(18)21)12-13-6-3-2-4-7-13/h2-8,10H,9,11-12H2,1H3,(H2,18,21)
InChIKeyLNYWEMLZKMNZOU-UHFFFAOYSA-N
XLogP1.61
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-(2-chloroethyl)-2-methoxypyridine-3-carboxamide
CID 63390573
N-(3-amino-3-oxopropyl)-N-benzyl-2-chlorobenzamide
CID 28642307
N-(3-amino-3-oxopropyl)-N-benzyl-2-iodobenzamide
CID 28642305
1-N,4-N-bis(3-amino-3-oxopropyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide
CID 28642997
N-benzyl-2-(4-bromophenoxy)-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 78873503
N-benzyl-N-(2-bromoethyl)-2-methylpyridine-3-carboxamide
CID 80661556
methyl 3-[(3-amino-3-oxopropyl)-benzylcarbamoyl]benzoate
CID 28642596
N-(3-amino-3-oxopropyl)-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide
CID 56816608
N-benzyl-2,6-dimethoxy-N-(2-phenylethyl)pyridine-3-carboxamide
CID 6624514
3-[benzyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanamide
CID 115949721
2-[(2-methoxypyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 63072391
N-(3-amino-3-oxopropyl)-N-benzyl-1,3-thiazole-4-carboxamide
CID 63048716

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-N-benzyl-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-N-benzyl-2-methoxypyridine-3-carboxamide (CID 134003290) is N-(3-amino-3-oxopropyl)-N-benzyl-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-N-benzyl-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-N-benzyl-2-methoxypyridine-3-carboxamide is COc1ncccc1C(=O)N(CCC(N)=O)Cc1ccccc1.
What is the InChIKey of N-(3-amino-3-oxopropyl)-N-benzyl-2-methoxypyridine-3-carboxamide?
The InChIKey is LNYWEMLZKMNZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-23-16-14(8-5-10-19-16)17(22)20(11-9-15(18)21)12-13-6-3-2-4-7-13/h2-8,10H,9,11-12H2,1H3,(H2,18,21).
What are the key properties of N-(3-amino-3-oxopropyl)-N-benzyl-2-methoxypyridine-3-carboxamide?
N-(3-amino-3-oxopropyl)-N-benzyl-2-methoxypyridine-3-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-N-benzyl-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 134003290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).