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

C27H26N6O — CID 171351185

IUPAC(2R)-2-[[3-cyano-2-[4-[2-(dimethylamino)phenyl]phenyl]-1,7-naphthyridin-4-yl]amino]butanamide
SMILESCC[C@@H](Nc1c(C#N)c(-c2ccc(-c3ccccc3N(C)C)cc2)nc2cnccc12)C(N)=O
InChIInChI=1S/C27H26N6O/c1-4-22(27(29)34)31-26-20-13-14-30-16-23(20)32-25(21(26)15-28)18-11-9-17(10-12-18)19-7-5-6-8-24(19)33(2)3/h5-14,16,22H,4H2,1-3H3,(H2,29,34)(H,31,32)/t22-/m1/s1
InChIKeyUEAZDZJZCAHIQA-JOCHJYFZSA-N
MW450.55 g/mol
LogP4.58
Rot. Bonds7

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

(2R)-2-[[3-cyano-2-[4-[2-(dimethylamino)phenyl]phenyl]-1,7-naphthyridin-4-yl]amino]butanamide (PubChem CID 171351185) has the molecular formula C27H26N6O and a molecular weight of 450.55 g/mol. Its IUPAC name is (2R)-2-[[3-cyano-2-[4-[2-(dimethylamino)phenyl]phenyl]-1,7-naphthyridin-4-yl]amino]butanamide.

Molecular Properties

Compound Name(2R)-2-[[3-cyano-2-[4-[2-(dimethylamino)phenyl]phenyl]-1,7-naphthyridin-4-yl]amino]butanamide
PubChem CID171351185
Molecular FormulaC27H26N6O
Molecular Weight450.55 g/mol
Exact Mass450.22
IUPAC Name(2R)-2-[[3-cyano-2-[4-[2-(dimethylamino)phenyl]phenyl]-1,7-naphthyridin-4-yl]amino]butanamide
SMILESCC[C@@H](Nc1c(C#N)c(-c2ccc(-c3ccccc3N(C)C)cc2)nc2cnccc12)C(N)=O
InChIInChI=1S/C27H26N6O/c1-4-22(27(29)34)31-26-20-13-14-30-16-23(20)32-25(21(26)15-28)18-11-9-17(10-12-18)19-7-5-6-8-24(19)33(2)3/h5-14,16,22H,4H2,1-3H3,(H2,29,34)(H,31,32)/t22-/m1/s1
InChIKeyUEAZDZJZCAHIQA-JOCHJYFZSA-N
XLogP4.58
TPSA107.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.55
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3-cyano-2-[4-[2-(dimethylamino)phenyl]phenyl]-1,7-naphthyridin-4-yl]amino]butanamide?
The IUPAC name of (2R)-2-[[3-cyano-2-[4-[2-(dimethylamino)phenyl]phenyl]-1,7-naphthyridin-4-yl]amino]butanamide (CID 171351185) is (2R)-2-[[3-cyano-2-[4-[2-(dimethylamino)phenyl]phenyl]-1,7-naphthyridin-4-yl]amino]butanamide.
What is the SMILES notation for (2R)-2-[[3-cyano-2-[4-[2-(dimethylamino)phenyl]phenyl]-1,7-naphthyridin-4-yl]amino]butanamide?
The canonical SMILES for (2R)-2-[[3-cyano-2-[4-[2-(dimethylamino)phenyl]phenyl]-1,7-naphthyridin-4-yl]amino]butanamide is CC[C@@H](Nc1c(C#N)c(-c2ccc(-c3ccccc3N(C)C)cc2)nc2cnccc12)C(N)=O.
What is the InChIKey of (2R)-2-[[3-cyano-2-[4-[2-(dimethylamino)phenyl]phenyl]-1,7-naphthyridin-4-yl]amino]butanamide?
The InChIKey is UEAZDZJZCAHIQA-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H26N6O/c1-4-22(27(29)34)31-26-20-13-14-30-16-23(20)32-25(21(26)15-28)18-11-9-17(10-12-18)19-7-5-6-8-24(19)33(2)3/h5-14,16,22H,4H2,1-3H3,(H2,29,34)(H,31,32)/t22-/m1/s1.
What are the key properties of (2R)-2-[[3-cyano-2-[4-[2-(dimethylamino)phenyl]phenyl]-1,7-naphthyridin-4-yl]amino]butanamide?
(2R)-2-[[3-cyano-2-[4-[2-(dimethylamino)phenyl]phenyl]-1,7-naphthyridin-4-yl]amino]butanamide has a molecular weight of 450.55 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[3-cyano-2-[4-[2-(dimethylamino)phenyl]phenyl]-1,7-naphthyridin-4-yl]amino]butanamide is sourced from PubChem (CID 171351185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).