4-amino-2-benzyl-N-phenylmethoxypyridine-3-carboxamide

C20H19N3O2 — CID 174611455

IUPAC4-amino-2-benzyl-N-phenylmethoxypyridine-3-carboxamide
SMILESNc1ccnc(Cc2ccccc2)c1C(=O)NOCc1ccccc1
InChIInChI=1S/C20H19N3O2/c21-17-11-12-22-18(13-15-7-3-1-4-8-15)19(17)20(24)23-25-14-16-9-5-2-6-10-16/h1-12H,13-14H2,(H2,21,22)(H,23,24)
InChIKeyZBMMVAKNLIGVHO-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.12
Rot. Bonds6

About 4-amino-2-benzyl-N-phenylmethoxypyridine-3-carboxamide

4-amino-2-benzyl-N-phenylmethoxypyridine-3-carboxamide (PubChem CID 174611455) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 4-amino-2-benzyl-N-phenylmethoxypyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-2-benzyl-N-phenylmethoxypyridine-3-carboxamide
PubChem CID174611455
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name4-amino-2-benzyl-N-phenylmethoxypyridine-3-carboxamide
SMILESNc1ccnc(Cc2ccccc2)c1C(=O)NOCc1ccccc1
InChIInChI=1S/C20H19N3O2/c21-17-11-12-22-18(13-15-7-3-1-4-8-15)19(17)20(24)23-25-14-16-9-5-2-6-10-16/h1-12H,13-14H2,(H2,21,22)(H,23,24)
InChIKeyZBMMVAKNLIGVHO-UHFFFAOYSA-N
XLogP3.12
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,4,6-trifluoro-N-phenylmethoxybenzamide
CID 65100420
5-bromo-N-phenylmethoxypyridine-2-carboxamide
CID 62998593
N-phenylmethoxyquinoline-2-carboxamide
CID 9227229
1-methyl-3-phenylmethoxyurea
CID 14227198
2,3-dimethyl-4-oxo-4-(phenylmethoxyamino)but-2-enoic acid
CID 77054852
4-phenyl-N-phenylmethoxybenzamide
CID 9227272
4-(phenoxymethyl)-N-phenylmethoxybenzamide
CID 41450965
6-methyl-N-phenylmethoxypyridine-3-carboxamide
CID 18149129
4-bromo-N-phenylmethoxybenzamide
CID 41450559
5-phenyl-N-phenylmethoxy-1,2-oxazole-3-carboxamide
CID 4775508
4-methyl-N-phenylmethoxy-1,2-oxazole-5-carboxamide
CID 66335896
(phenylmethoxyamino)urea
CID 67928507

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-benzyl-N-phenylmethoxypyridine-3-carboxamide?
The IUPAC name of 4-amino-2-benzyl-N-phenylmethoxypyridine-3-carboxamide (CID 174611455) is 4-amino-2-benzyl-N-phenylmethoxypyridine-3-carboxamide.
What is the SMILES notation for 4-amino-2-benzyl-N-phenylmethoxypyridine-3-carboxamide?
The canonical SMILES for 4-amino-2-benzyl-N-phenylmethoxypyridine-3-carboxamide is Nc1ccnc(Cc2ccccc2)c1C(=O)NOCc1ccccc1.
What is the InChIKey of 4-amino-2-benzyl-N-phenylmethoxypyridine-3-carboxamide?
The InChIKey is ZBMMVAKNLIGVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c21-17-11-12-22-18(13-15-7-3-1-4-8-15)19(17)20(24)23-25-14-16-9-5-2-6-10-16/h1-12H,13-14H2,(H2,21,22)(H,23,24).
What are the key properties of 4-amino-2-benzyl-N-phenylmethoxypyridine-3-carboxamide?
4-amino-2-benzyl-N-phenylmethoxypyridine-3-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-benzyl-N-phenylmethoxypyridine-3-carboxamide is sourced from PubChem (CID 174611455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).