8-(4-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,6-naphthyridine-2-carboxamide

C22H19N5O2 — CID 4081899

IUPAC8-(4-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,6-naphthyridine-2-carboxamide
SMILESCOc1ccc(-c2cncc3ccc(C(=O)NCc4cnc(C)cn4)nc23)cc1
InChIInChI=1S/C22H19N5O2/c1-14-9-25-17(11-24-14)12-26-22(28)20-8-5-16-10-23-13-19(21(16)27-20)15-3-6-18(29-2)7-4-15/h3-11,13H,12H2,1-2H3,(H,26,28)
InChIKeyQFTPVMFFZCOQGG-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.33
Rot. Bonds5

About 8-(4-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,6-naphthyridine-2-carboxamide

8-(4-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,6-naphthyridine-2-carboxamide (PubChem CID 4081899) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 8-(4-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name8-(4-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,6-naphthyridine-2-carboxamide
PubChem CID4081899
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Name8-(4-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,6-naphthyridine-2-carboxamide
SMILESCOc1ccc(-c2cncc3ccc(C(=O)NCc4cnc(C)cn4)nc23)cc1
InChIInChI=1S/C22H19N5O2/c1-14-9-25-17(11-24-14)12-26-22(28)20-8-5-16-10-23-13-19(21(16)27-20)15-3-6-18(29-2)7-4-15/h3-11,13H,12H2,1-2H3,(H,26,28)
InChIKeyQFTPVMFFZCOQGG-UHFFFAOYSA-N
XLogP3.33
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,6-naphthyridine-2-carboxamide?
The IUPAC name of 8-(4-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,6-naphthyridine-2-carboxamide (CID 4081899) is 8-(4-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for 8-(4-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for 8-(4-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,6-naphthyridine-2-carboxamide is COc1ccc(-c2cncc3ccc(C(=O)NCc4cnc(C)cn4)nc23)cc1.
What is the InChIKey of 8-(4-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,6-naphthyridine-2-carboxamide?
The InChIKey is QFTPVMFFZCOQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c1-14-9-25-17(11-24-14)12-26-22(28)20-8-5-16-10-23-13-19(21(16)27-20)15-3-6-18(29-2)7-4-15/h3-11,13H,12H2,1-2H3,(H,26,28).
What are the key properties of 8-(4-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,6-naphthyridine-2-carboxamide?
8-(4-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,6-naphthyridine-2-carboxamide has a molecular weight of 385.43 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 4081899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).