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

C26H25N3O2 — CID 71462029

IUPACN-[[4-[3-(hydroxymethyl)phenyl]phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide
SMILESO=C(CCCc1ccc2cccnc2n1)NCc1ccc(-c2cccc(CO)c2)cc1
InChIInChI=1S/C26H25N3O2/c30-18-20-4-1-5-23(16-20)21-11-9-19(10-12-21)17-28-25(31)8-2-7-24-14-13-22-6-3-15-27-26(22)29-24/h1,3-6,9-16,30H,2,7-8,17-18H2,(H,28,31)
InChIKeyYATLVLVIFHKYTC-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.43
Rot. Bonds8

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

N-[[4-[3-(hydroxymethyl)phenyl]phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide (PubChem CID 71462029) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-[[4-[3-(hydroxymethyl)phenyl]phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide.

Molecular Properties

Compound NameN-[[4-[3-(hydroxymethyl)phenyl]phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide
PubChem CID71462029
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC NameN-[[4-[3-(hydroxymethyl)phenyl]phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide
SMILESO=C(CCCc1ccc2cccnc2n1)NCc1ccc(-c2cccc(CO)c2)cc1
InChIInChI=1S/C26H25N3O2/c30-18-20-4-1-5-23(16-20)21-11-9-19(10-12-21)17-28-25(31)8-2-7-24-14-13-22-6-3-15-27-26(22)29-24/h1,3-6,9-16,30H,2,7-8,17-18H2,(H,28,31)
InChIKeyYATLVLVIFHKYTC-UHFFFAOYSA-N
XLogP4.43
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-(hydroxymethyl)phenyl]phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide?
The IUPAC name of N-[[4-[3-(hydroxymethyl)phenyl]phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide (CID 71462029) is N-[[4-[3-(hydroxymethyl)phenyl]phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide.
What is the SMILES notation for N-[[4-[3-(hydroxymethyl)phenyl]phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide?
The canonical SMILES for N-[[4-[3-(hydroxymethyl)phenyl]phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide is O=C(CCCc1ccc2cccnc2n1)NCc1ccc(-c2cccc(CO)c2)cc1.
What is the InChIKey of N-[[4-[3-(hydroxymethyl)phenyl]phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide?
The InChIKey is YATLVLVIFHKYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c30-18-20-4-1-5-23(16-20)21-11-9-19(10-12-21)17-28-25(31)8-2-7-24-14-13-22-6-3-15-27-26(22)29-24/h1,3-6,9-16,30H,2,7-8,17-18H2,(H,28,31).
What are the key properties of N-[[4-[3-(hydroxymethyl)phenyl]phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide?
N-[[4-[3-(hydroxymethyl)phenyl]phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide has a molecular weight of 411.51 g/mol, XLogP of 4.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-(hydroxymethyl)phenyl]phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide is sourced from PubChem (CID 71462029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).