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

C26H24ClN3O — CID 71456626

IUPACN-[[4-(4-chloro-3-methylphenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide
SMILESCc1cc(-c2ccc(CNC(=O)CCCc3ccc4cccnc4n3)cc2)ccc1Cl
InChIInChI=1S/C26H24ClN3O/c1-18-16-22(12-14-24(18)27)20-9-7-19(8-10-20)17-29-25(31)6-2-5-23-13-11-21-4-3-15-28-26(21)30-23/h3-4,7-16H,2,5-6,17H2,1H3,(H,29,31)
InChIKeyOPMDDTWHVKMKPQ-UHFFFAOYSA-N
MW429.95 g/mol
LogP5.90
Rot. Bonds7

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

N-[[4-(4-chloro-3-methylphenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide (PubChem CID 71456626) has the molecular formula C26H24ClN3O and a molecular weight of 429.95 g/mol. Its IUPAC name is N-[[4-(4-chloro-3-methylphenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide.

Molecular Properties

Compound NameN-[[4-(4-chloro-3-methylphenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide
PubChem CID71456626
Molecular FormulaC26H24ClN3O
Molecular Weight429.95 g/mol
Exact Mass429.16
IUPAC NameN-[[4-(4-chloro-3-methylphenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide
SMILESCc1cc(-c2ccc(CNC(=O)CCCc3ccc4cccnc4n3)cc2)ccc1Cl
InChIInChI=1S/C26H24ClN3O/c1-18-16-22(12-14-24(18)27)20-9-7-19(8-10-20)17-29-25(31)6-2-5-23-13-11-21-4-3-15-28-26(21)30-23/h3-4,7-16H,2,5-6,17H2,1H3,(H,29,31)
InChIKeyOPMDDTWHVKMKPQ-UHFFFAOYSA-N
XLogP5.90
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.95
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-chloro-3-methylphenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide?
The IUPAC name of N-[[4-(4-chloro-3-methylphenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide (CID 71456626) is N-[[4-(4-chloro-3-methylphenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide.
What is the SMILES notation for N-[[4-(4-chloro-3-methylphenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide?
The canonical SMILES for N-[[4-(4-chloro-3-methylphenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide is Cc1cc(-c2ccc(CNC(=O)CCCc3ccc4cccnc4n3)cc2)ccc1Cl.
What is the InChIKey of N-[[4-(4-chloro-3-methylphenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide?
The InChIKey is OPMDDTWHVKMKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O/c1-18-16-22(12-14-24(18)27)20-9-7-19(8-10-20)17-29-25(31)6-2-5-23-13-11-21-4-3-15-28-26(21)30-23/h3-4,7-16H,2,5-6,17H2,1H3,(H,29,31).
What are the key properties of N-[[4-(4-chloro-3-methylphenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide?
N-[[4-(4-chloro-3-methylphenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide has a molecular weight of 429.95 g/mol, XLogP of 5.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-chloro-3-methylphenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide is sourced from PubChem (CID 71456626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).