N-[(2-ethoxy-4-pyridinyl)methyl]-6-phenoxypyridine-3-carboxamide

C20H19N3O3 — CID 78899959

IUPACN-[(2-ethoxy-4-pyridinyl)methyl]-6-phenoxypyridine-3-carboxamide
SMILESCCOc1cc(CNC(=O)c2ccc(Oc3ccccc3)nc2)ccn1
InChIInChI=1S/C20H19N3O3/c1-2-25-19-12-15(10-11-21-19)13-23-20(24)16-8-9-18(22-14-16)26-17-6-4-3-5-7-17/h3-12,14H,2,13H2,1H3,(H,23,24)
InChIKeyHCIVSJJEYRAOMV-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.60
Rot. Bonds7

About N-[(2-ethoxy-4-pyridinyl)methyl]-6-phenoxypyridine-3-carboxamide

N-[(2-ethoxy-4-pyridinyl)methyl]-6-phenoxypyridine-3-carboxamide (PubChem CID 78899959) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[(2-ethoxy-4-pyridinyl)methyl]-6-phenoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-ethoxy-4-pyridinyl)methyl]-6-phenoxypyridine-3-carboxamide
PubChem CID78899959
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-[(2-ethoxy-4-pyridinyl)methyl]-6-phenoxypyridine-3-carboxamide
SMILESCCOc1cc(CNC(=O)c2ccc(Oc3ccccc3)nc2)ccn1
InChIInChI=1S/C20H19N3O3/c1-2-25-19-12-15(10-11-21-19)13-23-20(24)16-8-9-18(22-14-16)26-17-6-4-3-5-7-17/h3-12,14H,2,13H2,1H3,(H,23,24)
InChIKeyHCIVSJJEYRAOMV-UHFFFAOYSA-N
XLogP3.60
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(butylcarbamoyl)phenyl]methyl]-6-phenoxypyridine-3-carboxamide
CID 78901073
N-[(2-ethoxy-4-pyridinyl)methyl]-9-oxofluorene-2-carboxamide
CID 55723662
2-[(6-phenoxypyridine-3-carbonyl)amino]acetic acid
CID 163226654
N-[[4-(2-methylpropanoylamino)phenyl]methyl]-6-phenoxypyridine-3-carboxamide
CID 78888482
N-(2-methoxyethyl)-6-phenoxypyridine-3-carboxamide
CID 87000425
6-ethoxy-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]pyridine-3-carboxamide
CID 86849292
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 47063435
N-(2-hydroxypropyl)-6-phenoxypyridine-3-carboxamide
CID 78888027
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-3,5-dimethoxy-4-methylbenzamide
CID 55887692
N-[[4-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55887705
2-ethyl-2-[[(6-phenoxypyridine-3-carbonyl)amino]methyl]butanoic acid
CID 120533319
N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
CID 46466541

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxy-4-pyridinyl)methyl]-6-phenoxypyridine-3-carboxamide?
The IUPAC name of N-[(2-ethoxy-4-pyridinyl)methyl]-6-phenoxypyridine-3-carboxamide (CID 78899959) is N-[(2-ethoxy-4-pyridinyl)methyl]-6-phenoxypyridine-3-carboxamide.
What is the SMILES notation for N-[(2-ethoxy-4-pyridinyl)methyl]-6-phenoxypyridine-3-carboxamide?
The canonical SMILES for N-[(2-ethoxy-4-pyridinyl)methyl]-6-phenoxypyridine-3-carboxamide is CCOc1cc(CNC(=O)c2ccc(Oc3ccccc3)nc2)ccn1.
What is the InChIKey of N-[(2-ethoxy-4-pyridinyl)methyl]-6-phenoxypyridine-3-carboxamide?
The InChIKey is HCIVSJJEYRAOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-2-25-19-12-15(10-11-21-19)13-23-20(24)16-8-9-18(22-14-16)26-17-6-4-3-5-7-17/h3-12,14H,2,13H2,1H3,(H,23,24).
What are the key properties of N-[(2-ethoxy-4-pyridinyl)methyl]-6-phenoxypyridine-3-carboxamide?
N-[(2-ethoxy-4-pyridinyl)methyl]-6-phenoxypyridine-3-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxy-4-pyridinyl)methyl]-6-phenoxypyridine-3-carboxamide is sourced from PubChem (CID 78899959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).