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

C19H25N3O5 — CID 70369313

IUPAC1-amino-N-(4,4-dimethoxybutyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide
SMILESCOC(CCCNC(=O)c1c(OCc2ccccc2)c(=O)ccn1N)OC
InChIInChI=1S/C19H25N3O5/c1-25-16(26-2)9-6-11-21-19(24)17-18(15(23)10-12-22(17)20)27-13-14-7-4-3-5-8-14/h3-5,7-8,10,12,16H,6,9,11,13,20H2,1-2H3,(H,21,24)
InChIKeyGAMYEKKDTAZVNQ-UHFFFAOYSA-N
MW375.43 g/mol
LogP1.27
Rot. Bonds10

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

1-amino-N-(4,4-dimethoxybutyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide (PubChem CID 70369313) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is 1-amino-N-(4,4-dimethoxybutyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide.

Molecular Properties

Compound Name1-amino-N-(4,4-dimethoxybutyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide
PubChem CID70369313
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC Name1-amino-N-(4,4-dimethoxybutyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide
SMILESCOC(CCCNC(=O)c1c(OCc2ccccc2)c(=O)ccn1N)OC
InChIInChI=1S/C19H25N3O5/c1-25-16(26-2)9-6-11-21-19(24)17-18(15(23)10-12-22(17)20)27-13-14-7-4-3-5-8-14/h3-5,7-8,10,12,16H,6,9,11,13,20H2,1-2H3,(H,21,24)
InChIKeyGAMYEKKDTAZVNQ-UHFFFAOYSA-N
XLogP1.27
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-amino-N-[2-(2-butoxy-2-methoxyethoxy)ethyl]-4-oxo-3-phenylmethoxypyridine-2-carboxamide
CID 134484200
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
(5,5-dimethoxypentylamino)methyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-3-phenylmethoxypyridine-2-carboxylate
CID 155298269
1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-N-propylpyridine-2-carboxamide
CID 143761971
1-amino-2-(3-methylpent-4-enoyl)-3-phenylmethoxypyridin-4-one
CID 164968934
1-amino-N-(1-ethenylcyclobutyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide
CID 156780552
N-[2-(2-methoxy-3-pyridinyl)ethyl]-1-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide
CID 157014793
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide
CID 156585394
tert-butyl N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylcarbamoyl]-4-oxo-3-phenylmethoxy-1-pyridinyl]carbamate
CID 163999089
N-[[3-(aminomethyl)-5,7-bis[[[1-(2,3-dihydroxypropyl)-4-oxo-3-phenylmethoxypyridine-2-carbonyl]amino]methyl]-1-adamantyl]methyl]-1-(2,3-dihydroxypropyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide
CID 25234889
tert-butyl N-[2-[(1-amino-3-butoxy-4-oxopyridine-2-carbonyl)amino]ethyl]-N-methylcarbamate
CID 67471526

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(4,4-dimethoxybutyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide?
The IUPAC name of 1-amino-N-(4,4-dimethoxybutyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide (CID 70369313) is 1-amino-N-(4,4-dimethoxybutyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide.
What is the SMILES notation for 1-amino-N-(4,4-dimethoxybutyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide?
The canonical SMILES for 1-amino-N-(4,4-dimethoxybutyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide is COC(CCCNC(=O)c1c(OCc2ccccc2)c(=O)ccn1N)OC.
What is the InChIKey of 1-amino-N-(4,4-dimethoxybutyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide?
The InChIKey is GAMYEKKDTAZVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5/c1-25-16(26-2)9-6-11-21-19(24)17-18(15(23)10-12-22(17)20)27-13-14-7-4-3-5-8-14/h3-5,7-8,10,12,16H,6,9,11,13,20H2,1-2H3,(H,21,24).
What are the key properties of 1-amino-N-(4,4-dimethoxybutyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide?
1-amino-N-(4,4-dimethoxybutyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 1.27, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(4,4-dimethoxybutyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide is sourced from PubChem (CID 70369313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).