N-[7-(4-carbamimidoylphenoxy)-5-methyl-1,8-naphthyridin-2-yl]acetamide

C18H17N5O2 — CID 21250335

IUPACN-[7-(4-carbamimidoylphenoxy)-5-methyl-1,8-naphthyridin-2-yl]acetamide
SMILES[H]/N=C(\N)c1ccc(Oc2cc(C)c3ccc(NC(C)=O)nc3n2)cc1
InChIInChI=1S/C18H17N5O2/c1-10-9-16(25-13-5-3-12(4-6-13)17(19)20)23-18-14(10)7-8-15(22-18)21-11(2)24/h3-9H,1-2H3,(H3,19,20)(H,21,22,23,24)
InChIKeyXZWREUBPZRBPRV-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.97
Rot. Bonds4

About N-[7-(4-carbamimidoylphenoxy)-5-methyl-1,8-naphthyridin-2-yl]acetamide

N-[7-(4-carbamimidoylphenoxy)-5-methyl-1,8-naphthyridin-2-yl]acetamide (PubChem CID 21250335) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is N-[7-(4-carbamimidoylphenoxy)-5-methyl-1,8-naphthyridin-2-yl]acetamide.

Molecular Properties

Compound NameN-[7-(4-carbamimidoylphenoxy)-5-methyl-1,8-naphthyridin-2-yl]acetamide
PubChem CID21250335
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC NameN-[7-(4-carbamimidoylphenoxy)-5-methyl-1,8-naphthyridin-2-yl]acetamide
SMILES[H]/N=C(\N)c1ccc(Oc2cc(C)c3ccc(NC(C)=O)nc3n2)cc1
InChIInChI=1S/C18H17N5O2/c1-10-9-16(25-13-5-3-12(4-6-13)17(19)20)23-18-14(10)7-8-15(22-18)21-11(2)24/h3-9H,1-2H3,(H3,19,20)(H,21,22,23,24)
InChIKeyXZWREUBPZRBPRV-UHFFFAOYSA-N
XLogP2.97
TPSA113.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[7-(4-carbamimidoylphenoxy)-5-methyl-1,8-naphthyridin-2-yl]acetamide?
The IUPAC name of N-[7-(4-carbamimidoylphenoxy)-5-methyl-1,8-naphthyridin-2-yl]acetamide (CID 21250335) is N-[7-(4-carbamimidoylphenoxy)-5-methyl-1,8-naphthyridin-2-yl]acetamide.
What is the SMILES notation for N-[7-(4-carbamimidoylphenoxy)-5-methyl-1,8-naphthyridin-2-yl]acetamide?
The canonical SMILES for N-[7-(4-carbamimidoylphenoxy)-5-methyl-1,8-naphthyridin-2-yl]acetamide is [H]/N=C(\N)c1ccc(Oc2cc(C)c3ccc(NC(C)=O)nc3n2)cc1.
What is the InChIKey of N-[7-(4-carbamimidoylphenoxy)-5-methyl-1,8-naphthyridin-2-yl]acetamide?
The InChIKey is XZWREUBPZRBPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-10-9-16(25-13-5-3-12(4-6-13)17(19)20)23-18-14(10)7-8-15(22-18)21-11(2)24/h3-9H,1-2H3,(H3,19,20)(H,21,22,23,24).
What are the key properties of N-[7-(4-carbamimidoylphenoxy)-5-methyl-1,8-naphthyridin-2-yl]acetamide?
N-[7-(4-carbamimidoylphenoxy)-5-methyl-1,8-naphthyridin-2-yl]acetamide has a molecular weight of 335.37 g/mol, XLogP of 2.97, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(4-carbamimidoylphenoxy)-5-methyl-1,8-naphthyridin-2-yl]acetamide is sourced from PubChem (CID 21250335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).