1-amino-N-(1-ethenylcyclobutyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide

C19H21N3O3 — CID 156780552

IUPAC1-amino-N-(1-ethenylcyclobutyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide
SMILESC=CC1(NC(=O)c2c(OCc3ccccc3)c(=O)ccn2N)CCC1
InChIInChI=1S/C19H21N3O3/c1-2-19(10-6-11-19)21-18(24)16-17(15(23)9-12-22(16)20)25-13-14-7-4-3-5-8-14/h2-5,7-9,12H,1,6,10-11,13,20H2,(H,21,24)
InChIKeyPEBFSWYTVIXBTB-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.98
Rot. Bonds6

About 1-amino-N-(1-ethenylcyclobutyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide

1-amino-N-(1-ethenylcyclobutyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide (PubChem CID 156780552) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-amino-N-(1-ethenylcyclobutyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide.

Molecular Properties

Compound Name1-amino-N-(1-ethenylcyclobutyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide
PubChem CID156780552
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name1-amino-N-(1-ethenylcyclobutyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide
SMILESC=CC1(NC(=O)c2c(OCc3ccccc3)c(=O)ccn2N)CCC1
InChIInChI=1S/C19H21N3O3/c1-2-19(10-6-11-19)21-18(24)16-17(15(23)9-12-22(16)20)25-13-14-7-4-3-5-8-14/h2-5,7-9,12H,1,6,10-11,13,20H2,(H,21,24)
InChIKeyPEBFSWYTVIXBTB-UHFFFAOYSA-N
XLogP1.98
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-amino-2-(3-methylpent-4-enoyl)-3-phenylmethoxypyridin-4-one
CID 164968934
1-amino-N-(oxan-4-ylmethyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide
CID 147078331
ethyl 1-amino-4-oxo-3-phenylmethoxypyridine-2-carboxylate
CID 134464571
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
N-(1-ethenylcyclobutyl)-4-(oxomethylidene)-3-phenylmethoxypyran-2-carboxamide
CID 176529625
1-amino-N-[2-(2-butoxy-2-methoxyethoxy)ethyl]-4-oxo-3-phenylmethoxypyridine-2-carboxamide
CID 134484200
tert-butyl N-[2-[(1-ethenylcyclobutyl)carbamoyl]-4-(oxomethylidene)-3-phenylmethoxy-1-pyridinyl]carbamate
CID 176533978
N-methyl-4-oxo-3-phenylmethoxy-1-(2-phenylpent-4-en-2-ylamino)pyridine-2-carboxamide
CID 162689120
tert-butyl N-[4-oxo-3-phenylmethoxy-2-(propan-2-ylcarbamoyl)-1-pyridinyl]carbamate
CID 168831893
1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-N-propylpyridine-2-carboxamide
CID 143761971
tert-butyl 4,6-dioxo-5-phenylmethoxyspiro[2H-pyrido[1,2-b]pyridazine-3,1'-cyclobutane]-1-carboxylate
CID 175032576

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(1-ethenylcyclobutyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide?
The IUPAC name of 1-amino-N-(1-ethenylcyclobutyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide (CID 156780552) is 1-amino-N-(1-ethenylcyclobutyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide.
What is the SMILES notation for 1-amino-N-(1-ethenylcyclobutyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide?
The canonical SMILES for 1-amino-N-(1-ethenylcyclobutyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide is C=CC1(NC(=O)c2c(OCc3ccccc3)c(=O)ccn2N)CCC1.
What is the InChIKey of 1-amino-N-(1-ethenylcyclobutyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide?
The InChIKey is PEBFSWYTVIXBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-2-19(10-6-11-19)21-18(24)16-17(15(23)9-12-22(16)20)25-13-14-7-4-3-5-8-14/h2-5,7-9,12H,1,6,10-11,13,20H2,(H,21,24).
What are the key properties of 1-amino-N-(1-ethenylcyclobutyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide?
1-amino-N-(1-ethenylcyclobutyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(1-ethenylcyclobutyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide is sourced from PubChem (CID 156780552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).