5-(aminomethyl)-4-(4-methoxyphenyl)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide

C19H20N4O3 — CID 53325195

IUPAC5-(aminomethyl)-4-(4-methoxyphenyl)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cc(C)on3)nc(C)c2CN)cc1
InChIInChI=1S/C19H20N4O3/c1-11-8-18(23-26-11)22-19(24)17-9-15(16(10-20)12(2)21-17)13-4-6-14(25-3)7-5-13/h4-9H,10,20H2,1-3H3,(H,22,23,24)
InChIKeyQMHDAHSSZRQLPQ-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.07
Rot. Bonds5

About 5-(aminomethyl)-4-(4-methoxyphenyl)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide

5-(aminomethyl)-4-(4-methoxyphenyl)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide (PubChem CID 53325195) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 5-(aminomethyl)-4-(4-methoxyphenyl)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-4-(4-methoxyphenyl)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
PubChem CID53325195
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name5-(aminomethyl)-4-(4-methoxyphenyl)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cc(C)on3)nc(C)c2CN)cc1
InChIInChI=1S/C19H20N4O3/c1-11-8-18(23-26-11)22-19(24)17-9-15(16(10-20)12(2)21-17)13-4-6-14(25-3)7-5-13/h4-9H,10,20H2,1-3H3,(H,22,23,24)
InChIKeyQMHDAHSSZRQLPQ-UHFFFAOYSA-N
XLogP3.07
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-(4-methoxyphenyl)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-4-(4-methoxyphenyl)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide (CID 53325195) is 5-(aminomethyl)-4-(4-methoxyphenyl)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-4-(4-methoxyphenyl)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-4-(4-methoxyphenyl)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide is COc1ccc(-c2cc(C(=O)Nc3cc(C)on3)nc(C)c2CN)cc1.
What is the InChIKey of 5-(aminomethyl)-4-(4-methoxyphenyl)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide?
The InChIKey is QMHDAHSSZRQLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-11-8-18(23-26-11)22-19(24)17-9-15(16(10-20)12(2)21-17)13-4-6-14(25-3)7-5-13/h4-9H,10,20H2,1-3H3,(H,22,23,24).
What are the key properties of 5-(aminomethyl)-4-(4-methoxyphenyl)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide?
5-(aminomethyl)-4-(4-methoxyphenyl)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-(4-methoxyphenyl)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 53325195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).