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

C25H22N6O — CID 171352321

IUPAC(2R)-2-[[3-cyano-2-[4-(2-methyl-3-pyridinyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanamide
SMILESCC[C@@H](Nc1c(C#N)c(-c2ccc(-c3cccnc3C)cc2)nc2cnccc12)C(N)=O
InChIInChI=1S/C25H22N6O/c1-3-21(25(27)32)30-24-19-10-12-28-14-22(19)31-23(20(24)13-26)17-8-6-16(7-9-17)18-5-4-11-29-15(18)2/h4-12,14,21H,3H2,1-2H3,(H2,27,32)(H,30,31)/t21-/m1/s1
InChIKeyHELGNONTSYIFIH-OAQYLSRUSA-N
MW422.49 g/mol
LogP4.21
Rot. Bonds6

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

(2R)-2-[[3-cyano-2-[4-(2-methyl-3-pyridinyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanamide (PubChem CID 171352321) has the molecular formula C25H22N6O and a molecular weight of 422.49 g/mol. Its IUPAC name is (2R)-2-[[3-cyano-2-[4-(2-methyl-3-pyridinyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanamide.

Molecular Properties

Compound Name(2R)-2-[[3-cyano-2-[4-(2-methyl-3-pyridinyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanamide
PubChem CID171352321
Molecular FormulaC25H22N6O
Molecular Weight422.49 g/mol
Exact Mass422.19
IUPAC Name(2R)-2-[[3-cyano-2-[4-(2-methyl-3-pyridinyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanamide
SMILESCC[C@@H](Nc1c(C#N)c(-c2ccc(-c3cccnc3C)cc2)nc2cnccc12)C(N)=O
InChIInChI=1S/C25H22N6O/c1-3-21(25(27)32)30-24-19-10-12-28-14-22(19)31-23(20(24)13-26)17-8-6-16(7-9-17)18-5-4-11-29-15(18)2/h4-12,14,21H,3H2,1-2H3,(H2,27,32)(H,30,31)/t21-/m1/s1
InChIKeyHELGNONTSYIFIH-OAQYLSRUSA-N
XLogP4.21
TPSA117.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.21
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-methyl-3-pyridinyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanamide?
The IUPAC name of (2R)-2-[[3-cyano-2-[4-(2-methyl-3-pyridinyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanamide (CID 171352321) is (2R)-2-[[3-cyano-2-[4-(2-methyl-3-pyridinyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanamide.
What is the SMILES notation for (2R)-2-[[3-cyano-2-[4-(2-methyl-3-pyridinyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanamide?
The canonical SMILES for (2R)-2-[[3-cyano-2-[4-(2-methyl-3-pyridinyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanamide is CC[C@@H](Nc1c(C#N)c(-c2ccc(-c3cccnc3C)cc2)nc2cnccc12)C(N)=O.
What is the InChIKey of (2R)-2-[[3-cyano-2-[4-(2-methyl-3-pyridinyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanamide?
The InChIKey is HELGNONTSYIFIH-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H22N6O/c1-3-21(25(27)32)30-24-19-10-12-28-14-22(19)31-23(20(24)13-26)17-8-6-16(7-9-17)18-5-4-11-29-15(18)2/h4-12,14,21H,3H2,1-2H3,(H2,27,32)(H,30,31)/t21-/m1/s1.
What are the key properties of (2R)-2-[[3-cyano-2-[4-(2-methyl-3-pyridinyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanamide?
(2R)-2-[[3-cyano-2-[4-(2-methyl-3-pyridinyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanamide has a molecular weight of 422.49 g/mol, XLogP of 4.21, 6 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-methyl-3-pyridinyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanamide is sourced from PubChem (CID 171352321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).