N-[8-[(4-methoxyphenyl)methyl]-1,6-naphthyridin-2-yl]formamide

C17H15N3O2 — CID 174849708

IUPACN-[8-[(4-methoxyphenyl)methyl]-1,6-naphthyridin-2-yl]formamide
SMILESCOc1ccc(Cc2cncc3ccc(NC=O)nc23)cc1
InChIInChI=1S/C17H15N3O2/c1-22-15-5-2-12(3-6-15)8-14-10-18-9-13-4-7-16(19-11-21)20-17(13)14/h2-7,9-11H,8H2,1H3,(H,19,20,21)
InChIKeyZKJCTJQLZNKLHN-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.80
Rot. Bonds5

About N-[8-[(4-methoxyphenyl)methyl]-1,6-naphthyridin-2-yl]formamide

N-[8-[(4-methoxyphenyl)methyl]-1,6-naphthyridin-2-yl]formamide (PubChem CID 174849708) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[8-[(4-methoxyphenyl)methyl]-1,6-naphthyridin-2-yl]formamide.

Molecular Properties

Compound NameN-[8-[(4-methoxyphenyl)methyl]-1,6-naphthyridin-2-yl]formamide
PubChem CID174849708
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC NameN-[8-[(4-methoxyphenyl)methyl]-1,6-naphthyridin-2-yl]formamide
SMILESCOc1ccc(Cc2cncc3ccc(NC=O)nc23)cc1
InChIInChI=1S/C17H15N3O2/c1-22-15-5-2-12(3-6-15)8-14-10-18-9-13-4-7-16(19-11-21)20-17(13)14/h2-7,9-11H,8H2,1H3,(H,19,20,21)
InChIKeyZKJCTJQLZNKLHN-UHFFFAOYSA-N
XLogP2.80
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-[(4-methoxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide
CID 174849709
4-[(4-chlorophenyl)methyl]-7-methoxyisoquinoline;methanesulfonic acid
CID 23621339
1,2,3,4-tetrakis[(4-methoxyphenyl)methyl]benzene
CID 175327763
7-benzyl-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-one;hydrochloride
CID 131723052
2,9-bis[(4-methoxyphenyl)methyl]-1,10-phenanthroline
CID 67372925
5-[(4-methoxyphenyl)methoxy]pyridine-3-carbaldehyde
CID 113469448
2-[2-[(4-methoxyphenyl)methyl]phenyl]acetic acid
CID 12743493
8-(aminomethyl)-N-[(4-methoxyphenyl)methyl]quinolin-2-amine
CID 170993950
1-fluoro-2-[(4-methoxyphenyl)methyl]benzene
CID 57312860
4-[N-(4-formylphenyl)-4-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methyl]anilino]benzaldehyde
CID 58214212
4-[2-(4-methoxyphenyl)ethyl]benzaldehyde
CID 20510517
4-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylbenzene
CID 15654338

Frequently Asked Questions

What is the IUPAC name of N-[8-[(4-methoxyphenyl)methyl]-1,6-naphthyridin-2-yl]formamide?
The IUPAC name of N-[8-[(4-methoxyphenyl)methyl]-1,6-naphthyridin-2-yl]formamide (CID 174849708) is N-[8-[(4-methoxyphenyl)methyl]-1,6-naphthyridin-2-yl]formamide.
What is the SMILES notation for N-[8-[(4-methoxyphenyl)methyl]-1,6-naphthyridin-2-yl]formamide?
The canonical SMILES for N-[8-[(4-methoxyphenyl)methyl]-1,6-naphthyridin-2-yl]formamide is COc1ccc(Cc2cncc3ccc(NC=O)nc23)cc1.
What is the InChIKey of N-[8-[(4-methoxyphenyl)methyl]-1,6-naphthyridin-2-yl]formamide?
The InChIKey is ZKJCTJQLZNKLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-22-15-5-2-12(3-6-15)8-14-10-18-9-13-4-7-16(19-11-21)20-17(13)14/h2-7,9-11H,8H2,1H3,(H,19,20,21).
What are the key properties of N-[8-[(4-methoxyphenyl)methyl]-1,6-naphthyridin-2-yl]formamide?
N-[8-[(4-methoxyphenyl)methyl]-1,6-naphthyridin-2-yl]formamide has a molecular weight of 293.33 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-[(4-methoxyphenyl)methyl]-1,6-naphthyridin-2-yl]formamide is sourced from PubChem (CID 174849708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).