N-[(3-methoxyphenyl)methyl]-5-propan-2-yloxypyridine-3-carboxamide

C17H20N2O3 — CID 53138000

IUPACN-[(3-methoxyphenyl)methyl]-5-propan-2-yloxypyridine-3-carboxamide
SMILESCOc1cccc(CNC(=O)c2cncc(OC(C)C)c2)c1
InChIInChI=1S/C17H20N2O3/c1-12(2)22-16-8-14(10-18-11-16)17(20)19-9-13-5-4-6-15(7-13)21-3/h4-8,10-12H,9H2,1-3H3,(H,19,20)
InChIKeyJGXVAXGRRULJIG-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.81
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl]-5-propan-2-yloxypyridine-3-carboxamide

N-[(3-methoxyphenyl)methyl]-5-propan-2-yloxypyridine-3-carboxamide (PubChem CID 53138000) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-5-propan-2-yloxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-5-propan-2-yloxypyridine-3-carboxamide
PubChem CID53138000
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-[(3-methoxyphenyl)methyl]-5-propan-2-yloxypyridine-3-carboxamide
SMILESCOc1cccc(CNC(=O)c2cncc(OC(C)C)c2)c1
InChIInChI=1S/C17H20N2O3/c1-12(2)22-16-8-14(10-18-11-16)17(20)19-9-13-5-4-6-15(7-13)21-3/h4-8,10-12H,9H2,1-3H3,(H,19,20)
InChIKeyJGXVAXGRRULJIG-UHFFFAOYSA-N
XLogP2.81
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide
CID 4552071
5-N-(3-methoxyphenyl)-3-N-[(3-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105232
4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
CID 61028664
3-(2-methoxyethoxy)-N-[(5-methoxy-3-pyridinyl)methyl]benzamide
CID 126826403
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573
3,5-diamino-N-[(3-methoxyphenyl)methyl]benzamide
CID 61102924
N-[(3-hydroxyphenyl)methyl]-3-methoxybenzamide
CID 47292174
3-methoxy-N-[(3-propan-2-yloxyphenyl)methyl]naphthalene-2-carboxamide
CID 43910398
N-[(3,4-dimethoxyphenyl)methyl]-5-(3-methoxyanilino)pyridine-3-carboxamide
CID 109237914
5-bromo-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 47041883
4-formyl-N-[(3-methoxyphenyl)methyl]benzamide
CID 155923762
3,4-difluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 30491738

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-5-propan-2-yloxypyridine-3-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-5-propan-2-yloxypyridine-3-carboxamide (CID 53138000) is N-[(3-methoxyphenyl)methyl]-5-propan-2-yloxypyridine-3-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-5-propan-2-yloxypyridine-3-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-5-propan-2-yloxypyridine-3-carboxamide is COc1cccc(CNC(=O)c2cncc(OC(C)C)c2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-5-propan-2-yloxypyridine-3-carboxamide?
The InChIKey is JGXVAXGRRULJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-12(2)22-16-8-14(10-18-11-16)17(20)19-9-13-5-4-6-15(7-13)21-3/h4-8,10-12H,9H2,1-3H3,(H,19,20).
What are the key properties of N-[(3-methoxyphenyl)methyl]-5-propan-2-yloxypyridine-3-carboxamide?
N-[(3-methoxyphenyl)methyl]-5-propan-2-yloxypyridine-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-5-propan-2-yloxypyridine-3-carboxamide is sourced from PubChem (CID 53138000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).