N-[[4-(3-methoxyphenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide

C26H25N3O2 — CID 71449506

IUPACN-[[4-(3-methoxyphenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide
SMILESCOc1cccc(-c2ccc(CNC(=O)CCCc3ccc4cccnc4n3)cc2)c1
InChIInChI=1S/C26H25N3O2/c1-31-24-8-2-5-22(17-24)20-12-10-19(11-13-20)18-28-25(30)9-3-7-23-15-14-21-6-4-16-27-26(21)29-23/h2,4-6,8,10-17H,3,7,9,18H2,1H3,(H,28,30)
InChIKeyJGVSDYAGZPHABS-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.94
Rot. Bonds8

About N-[[4-(3-methoxyphenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide

N-[[4-(3-methoxyphenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide (PubChem CID 71449506) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-[[4-(3-methoxyphenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide.

Molecular Properties

Compound NameN-[[4-(3-methoxyphenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide
PubChem CID71449506
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC NameN-[[4-(3-methoxyphenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide
SMILESCOc1cccc(-c2ccc(CNC(=O)CCCc3ccc4cccnc4n3)cc2)c1
InChIInChI=1S/C26H25N3O2/c1-31-24-8-2-5-22(17-24)20-12-10-19(11-13-20)18-28-25(30)9-3-7-23-15-14-21-6-4-16-27-26(21)29-23/h2,4-6,8,10-17H,3,7,9,18H2,1H3,(H,28,30)
InChIKeyJGVSDYAGZPHABS-UHFFFAOYSA-N
XLogP4.94
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Vuf8504
CID 10247610
1-[2-Amino-6-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea
CID 5329128
6-Ethyl-5-{3-[3-(Isoquinolin-5-Yl)-5-Methoxyphenyl]prop-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 71560296
N1-(7-(3-methoxyphenyl)-1,6-naphthyridin-5-yl)propane-1,3-diamine
CID 10236578
6-isoquinolin-5-yl-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 11668164
m-Anisyl-[2-(3-pyridyl)quinazolin-4-yl]amine
CID 16196718
7-(4-Dimethylamino-phenyl)-5-(3-methoxy-phenyl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 44381546
N-[(3-methoxyphenyl)methyl]-6-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 52936150
(R)-2-amino-3-(4-methoxyphenyl)-1-(4-(quinazolin-4-yl)piperazin-1-yl)propan-1-one
CID 52941495
Methyl 2-fluoro-6-[3-fluoro-4-[[4-(1,8-naphthyridin-2-yl)butanoylamino]methyl]phenyl]benzoate
CID 71449505
4-(1,8-naphthyridin-2-yl)-N-[[4-[3-(trifluoromethoxy)phenyl]phenyl]methyl]butanamide
CID 71454858
(6S)-6-benzyl-1-[(3-methoxyphenyl)methyl]-4-(5-methyl-1H-pyrrolo[2,3-b]pyridine-2-carbonyl)piperazin-2-one
CID 122600989

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-methoxyphenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide?
The IUPAC name of N-[[4-(3-methoxyphenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide (CID 71449506) is N-[[4-(3-methoxyphenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide.
What is the SMILES notation for N-[[4-(3-methoxyphenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide?
The canonical SMILES for N-[[4-(3-methoxyphenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide is COc1cccc(-c2ccc(CNC(=O)CCCc3ccc4cccnc4n3)cc2)c1.
What is the InChIKey of N-[[4-(3-methoxyphenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide?
The InChIKey is JGVSDYAGZPHABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c1-31-24-8-2-5-22(17-24)20-12-10-19(11-13-20)18-28-25(30)9-3-7-23-15-14-21-6-4-16-27-26(21)29-23/h2,4-6,8,10-17H,3,7,9,18H2,1H3,(H,28,30).
What are the key properties of N-[[4-(3-methoxyphenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide?
N-[[4-(3-methoxyphenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide has a molecular weight of 411.51 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-methoxyphenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide is sourced from PubChem (CID 71449506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).