(2R)-2-[[3-cyano-2-[4-(3-methylphenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanamide

C26H23N5O — CID 171350959

IUPAC(2R)-2-[[3-cyano-2-[4-(3-methylphenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanamide
SMILESCC[C@@H](Nc1c(C#N)c(-c2ccc(-c3cccc(C)c3)cc2)nc2cnccc12)C(N)=O
InChIInChI=1S/C26H23N5O/c1-3-22(26(28)32)30-25-20-11-12-29-15-23(20)31-24(21(25)14-27)18-9-7-17(8-10-18)19-6-4-5-16(2)13-19/h4-13,15,22H,3H2,1-2H3,(H2,28,32)(H,30,31)/t22-/m1/s1
InChIKeySGGAMBTYCITZTQ-JOCHJYFZSA-N
MW421.50 g/mol
LogP4.82
Rot. Bonds6

About (2R)-2-[[3-cyano-2-[4-(3-methylphenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanamide

(2R)-2-[[3-cyano-2-[4-(3-methylphenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanamide (PubChem CID 171350959) has the molecular formula C26H23N5O and a molecular weight of 421.50 g/mol. Its IUPAC name is (2R)-2-[[3-cyano-2-[4-(3-methylphenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanamide.

Molecular Properties

Compound Name(2R)-2-[[3-cyano-2-[4-(3-methylphenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanamide
PubChem CID171350959
Molecular FormulaC26H23N5O
Molecular Weight421.50 g/mol
Exact Mass421.19
IUPAC Name(2R)-2-[[3-cyano-2-[4-(3-methylphenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanamide
SMILESCC[C@@H](Nc1c(C#N)c(-c2ccc(-c3cccc(C)c3)cc2)nc2cnccc12)C(N)=O
InChIInChI=1S/C26H23N5O/c1-3-22(26(28)32)30-25-20-11-12-29-15-23(20)31-24(21(25)14-27)18-9-7-17(8-10-18)19-6-4-5-16(2)13-19/h4-13,15,22H,3H2,1-2H3,(H2,28,32)(H,30,31)/t22-/m1/s1
InChIKeySGGAMBTYCITZTQ-JOCHJYFZSA-N
XLogP4.82
TPSA104.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3-cyano-2-[4-(3-methylphenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanamide?
The IUPAC name of (2R)-2-[[3-cyano-2-[4-(3-methylphenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanamide (CID 171350959) is (2R)-2-[[3-cyano-2-[4-(3-methylphenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanamide.
What is the SMILES notation for (2R)-2-[[3-cyano-2-[4-(3-methylphenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanamide?
The canonical SMILES for (2R)-2-[[3-cyano-2-[4-(3-methylphenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanamide is CC[C@@H](Nc1c(C#N)c(-c2ccc(-c3cccc(C)c3)cc2)nc2cnccc12)C(N)=O.
What is the InChIKey of (2R)-2-[[3-cyano-2-[4-(3-methylphenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanamide?
The InChIKey is SGGAMBTYCITZTQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H23N5O/c1-3-22(26(28)32)30-25-20-11-12-29-15-23(20)31-24(21(25)14-27)18-9-7-17(8-10-18)19-6-4-5-16(2)13-19/h4-13,15,22H,3H2,1-2H3,(H2,28,32)(H,30,31)/t22-/m1/s1.
What are the key properties of (2R)-2-[[3-cyano-2-[4-(3-methylphenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanamide?
(2R)-2-[[3-cyano-2-[4-(3-methylphenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanamide has a molecular weight of 421.50 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[3-cyano-2-[4-(3-methylphenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanamide is sourced from PubChem (CID 171350959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).