1-amino-N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-4-oxo-3-phenylmethoxypyridine-2-carboxamide

C20H20FN3O3 — CID 163652251

IUPAC1-amino-N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-4-oxo-3-phenylmethoxypyridine-2-carboxamide
SMILESNn1ccc(=O)c(OCc2ccccc2)c1C(=O)NCC1=CCC(F)C=C1
InChIInChI=1S/C20H20FN3O3/c21-16-8-6-14(7-9-16)12-23-20(26)18-19(17(25)10-11-24(18)22)27-13-15-4-2-1-3-5-15/h1-8,10-11,16H,9,12-13,22H2,(H,23,26)
InChIKeyINEOINPUCVNHOE-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.10
Rot. Bonds6

About 1-amino-N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-4-oxo-3-phenylmethoxypyridine-2-carboxamide

1-amino-N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-4-oxo-3-phenylmethoxypyridine-2-carboxamide (PubChem CID 163652251) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is 1-amino-N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-4-oxo-3-phenylmethoxypyridine-2-carboxamide.

Molecular Properties

Compound Name1-amino-N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-4-oxo-3-phenylmethoxypyridine-2-carboxamide
PubChem CID163652251
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC Name1-amino-N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-4-oxo-3-phenylmethoxypyridine-2-carboxamide
SMILESNn1ccc(=O)c(OCc2ccccc2)c1C(=O)NCC1=CCC(F)C=C1
InChIInChI=1S/C20H20FN3O3/c21-16-8-6-14(7-9-16)12-23-20(26)18-19(17(25)10-11-24(18)22)27-13-15-4-2-1-3-5-15/h1-8,10-11,16H,9,12-13,22H2,(H,23,26)
InChIKeyINEOINPUCVNHOE-UHFFFAOYSA-N
XLogP2.10
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-4-oxo-3-phenylmethoxypyridine-2-carboxamide?
The IUPAC name of 1-amino-N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-4-oxo-3-phenylmethoxypyridine-2-carboxamide (CID 163652251) is 1-amino-N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-4-oxo-3-phenylmethoxypyridine-2-carboxamide.
What is the SMILES notation for 1-amino-N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-4-oxo-3-phenylmethoxypyridine-2-carboxamide?
The canonical SMILES for 1-amino-N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-4-oxo-3-phenylmethoxypyridine-2-carboxamide is Nn1ccc(=O)c(OCc2ccccc2)c1C(=O)NCC1=CCC(F)C=C1.
What is the InChIKey of 1-amino-N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-4-oxo-3-phenylmethoxypyridine-2-carboxamide?
The InChIKey is INEOINPUCVNHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c21-16-8-6-14(7-9-16)12-23-20(26)18-19(17(25)10-11-24(18)22)27-13-15-4-2-1-3-5-15/h1-8,10-11,16H,9,12-13,22H2,(H,23,26).
What are the key properties of 1-amino-N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-4-oxo-3-phenylmethoxypyridine-2-carboxamide?
1-amino-N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-4-oxo-3-phenylmethoxypyridine-2-carboxamide has a molecular weight of 369.40 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-4-oxo-3-phenylmethoxypyridine-2-carboxamide is sourced from PubChem (CID 163652251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).