1-amino-2-(3-methylpent-4-enoyl)-3-phenylmethoxypyridin-4-one

C18H20N2O3 — CID 164968934

IUPAC1-amino-2-(3-methylpent-4-enoyl)-3-phenylmethoxypyridin-4-one
SMILESC=CC(C)CC(=O)c1c(OCc2ccccc2)c(=O)ccn1N
InChIInChI=1S/C18H20N2O3/c1-3-13(2)11-16(22)17-18(15(21)9-10-20(17)19)23-12-14-7-5-4-6-8-14/h3-10,13H,1,11-12,19H2,2H3
InChIKeyJKWYWJPNBUARTC-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.54
Rot. Bonds7

About 1-amino-2-(3-methylpent-4-enoyl)-3-phenylmethoxypyridin-4-one

1-amino-2-(3-methylpent-4-enoyl)-3-phenylmethoxypyridin-4-one (PubChem CID 164968934) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-amino-2-(3-methylpent-4-enoyl)-3-phenylmethoxypyridin-4-one.

Molecular Properties

Compound Name1-amino-2-(3-methylpent-4-enoyl)-3-phenylmethoxypyridin-4-one
PubChem CID164968934
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name1-amino-2-(3-methylpent-4-enoyl)-3-phenylmethoxypyridin-4-one
SMILESC=CC(C)CC(=O)c1c(OCc2ccccc2)c(=O)ccn1N
InChIInChI=1S/C18H20N2O3/c1-3-13(2)11-16(22)17-18(15(21)9-10-20(17)19)23-12-14-7-5-4-6-8-14/h3-10,13H,1,11-12,19H2,2H3
InChIKeyJKWYWJPNBUARTC-UHFFFAOYSA-N
XLogP2.54
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-amino-4-oxo-3-phenylmethoxypyridine-2-carboxylate
CID 134464571
1-amino-N-(1-ethenylcyclobutyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide
CID 156780552
1-amino-N-(4,4-dimethoxybutyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide
CID 70369313
4-oxo-3-phenylmethoxy-1-prop-2-enylpyridine-2-carboxylic acid
CID 58489013
1-amino-N-(oxan-4-ylmethyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide
CID 147078331
1-amino-N-[2-(2-butoxy-2-methoxyethoxy)ethyl]-4-oxo-3-phenylmethoxypyridine-2-carboxamide
CID 134484200
6-methyl-4-oxo-3-phenylmethoxy-1-prop-2-enylpyridine-2-carboxylic acid
CID 66941827
tert-butyl N-[4-oxo-3-phenylmethoxy-2-(propan-2-ylcarbamoyl)-1-pyridinyl]carbamate
CID 168831893
N-methyl-4-oxo-3-phenylmethoxy-1-(2-phenylpent-4-en-2-ylamino)pyridine-2-carboxamide
CID 162689120
1-benzyl-6-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid
CID 66941625
(2,5-dihydroxypyrrol-1-yl) 1-[2,3-bis(phenylmethoxy)propyl]-4-oxo-3-phenylmethoxypyridine-2-carboxylate
CID 137099620
1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-N-propylpyridine-2-carboxamide
CID 143761971

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(3-methylpent-4-enoyl)-3-phenylmethoxypyridin-4-one?
The IUPAC name of 1-amino-2-(3-methylpent-4-enoyl)-3-phenylmethoxypyridin-4-one (CID 164968934) is 1-amino-2-(3-methylpent-4-enoyl)-3-phenylmethoxypyridin-4-one.
What is the SMILES notation for 1-amino-2-(3-methylpent-4-enoyl)-3-phenylmethoxypyridin-4-one?
The canonical SMILES for 1-amino-2-(3-methylpent-4-enoyl)-3-phenylmethoxypyridin-4-one is C=CC(C)CC(=O)c1c(OCc2ccccc2)c(=O)ccn1N.
What is the InChIKey of 1-amino-2-(3-methylpent-4-enoyl)-3-phenylmethoxypyridin-4-one?
The InChIKey is JKWYWJPNBUARTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-3-13(2)11-16(22)17-18(15(21)9-10-20(17)19)23-12-14-7-5-4-6-8-14/h3-10,13H,1,11-12,19H2,2H3.
What are the key properties of 1-amino-2-(3-methylpent-4-enoyl)-3-phenylmethoxypyridin-4-one?
1-amino-2-(3-methylpent-4-enoyl)-3-phenylmethoxypyridin-4-one has a molecular weight of 312.37 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(3-methylpent-4-enoyl)-3-phenylmethoxypyridin-4-one is sourced from PubChem (CID 164968934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).