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

C19H23N3O4 — CID 147078331

IUPAC1-amino-N-(oxan-4-ylmethyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide
SMILESNn1ccc(=O)c(OCc2ccccc2)c1C(=O)NCC1CCOCC1
InChIInChI=1S/C19H23N3O4/c20-22-9-6-16(23)18(26-13-15-4-2-1-3-5-15)17(22)19(24)21-12-14-7-10-25-11-8-14/h1-6,9,14H,7-8,10-13,20H2,(H,21,24)
InChIKeyBGKHBDFEJHHFRX-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.30
Rot. Bonds6

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

1-amino-N-(oxan-4-ylmethyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide (PubChem CID 147078331) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-amino-N-(oxan-4-ylmethyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide.

Molecular Properties

Compound Name1-amino-N-(oxan-4-ylmethyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide
PubChem CID147078331
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name1-amino-N-(oxan-4-ylmethyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide
SMILESNn1ccc(=O)c(OCc2ccccc2)c1C(=O)NCC1CCOCC1
InChIInChI=1S/C19H23N3O4/c20-22-9-6-16(23)18(26-13-15-4-2-1-3-5-15)17(22)19(24)21-12-14-7-10-25-11-8-14/h1-6,9,14H,7-8,10-13,20H2,(H,21,24)
InChIKeyBGKHBDFEJHHFRX-UHFFFAOYSA-N
XLogP1.30
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(oxan-4-ylmethyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide?
The IUPAC name of 1-amino-N-(oxan-4-ylmethyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide (CID 147078331) is 1-amino-N-(oxan-4-ylmethyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide.
What is the SMILES notation for 1-amino-N-(oxan-4-ylmethyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide?
The canonical SMILES for 1-amino-N-(oxan-4-ylmethyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide is Nn1ccc(=O)c(OCc2ccccc2)c1C(=O)NCC1CCOCC1.
What is the InChIKey of 1-amino-N-(oxan-4-ylmethyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide?
The InChIKey is BGKHBDFEJHHFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c20-22-9-6-16(23)18(26-13-15-4-2-1-3-5-15)17(22)19(24)21-12-14-7-10-25-11-8-14/h1-6,9,14H,7-8,10-13,20H2,(H,21,24).
What are the key properties of 1-amino-N-(oxan-4-ylmethyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide?
1-amino-N-(oxan-4-ylmethyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(oxan-4-ylmethyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide is sourced from PubChem (CID 147078331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).