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

C26H24N6O — CID 171344275

IUPAC(2R)-2-[[3-cyano-2-[4-[2-(methylamino)phenyl]phenyl]-1,7-naphthyridin-4-yl]amino]butanamide
SMILESCC[C@@H](Nc1c(C#N)c(-c2ccc(-c3ccccc3NC)cc2)nc2cnccc12)C(N)=O
InChIInChI=1S/C26H24N6O/c1-3-21(26(28)33)31-25-19-12-13-30-15-23(19)32-24(20(25)14-27)17-10-8-16(9-11-17)18-6-4-5-7-22(18)29-2/h4-13,15,21,29H,3H2,1-2H3,(H2,28,33)(H,31,32)/t21-/m1/s1
InChIKeyXIZBITMDKFKYLC-OAQYLSRUSA-N
MW436.52 g/mol
LogP4.55
Rot. Bonds7

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

(2R)-2-[[3-cyano-2-[4-[2-(methylamino)phenyl]phenyl]-1,7-naphthyridin-4-yl]amino]butanamide (PubChem CID 171344275) has the molecular formula C26H24N6O and a molecular weight of 436.52 g/mol. Its IUPAC name is (2R)-2-[[3-cyano-2-[4-[2-(methylamino)phenyl]phenyl]-1,7-naphthyridin-4-yl]amino]butanamide.

Molecular Properties

Compound Name(2R)-2-[[3-cyano-2-[4-[2-(methylamino)phenyl]phenyl]-1,7-naphthyridin-4-yl]amino]butanamide
PubChem CID171344275
Molecular FormulaC26H24N6O
Molecular Weight436.52 g/mol
Exact Mass436.20
IUPAC Name(2R)-2-[[3-cyano-2-[4-[2-(methylamino)phenyl]phenyl]-1,7-naphthyridin-4-yl]amino]butanamide
SMILESCC[C@@H](Nc1c(C#N)c(-c2ccc(-c3ccccc3NC)cc2)nc2cnccc12)C(N)=O
InChIInChI=1S/C26H24N6O/c1-3-21(26(28)33)31-25-19-12-13-30-15-23(19)32-24(20(25)14-27)17-10-8-16(9-11-17)18-6-4-5-7-22(18)29-2/h4-13,15,21,29H,3H2,1-2H3,(H2,28,33)(H,31,32)/t21-/m1/s1
InChIKeyXIZBITMDKFKYLC-OAQYLSRUSA-N
XLogP4.55
TPSA116.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[[3-cyano-2-[4-[2-(methylamino)phenyl]phenyl]-1,7-naphthyridin-4-yl]amino]butanamide with MolForge

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Related Compounds

Bay-091
CID 155884467
(S)-N-(1-cyanocyclopropyl)-4-fluoro-4-methyl-2-((S)-2,2,2-trifluoro-1-(4-(quinolin-6-yl)phenyl)ethylamino)pentanamide
CID 46231379
Ethenyl-4-phenylamino-3-quinolinecarbonitrile 6c
CID 5330487
2-(4-methylphenyl)-N-(4-pyridinyl)-4-quinolinecarboxamide
CID 844557
5-Methyl-pyrazine-2-carboxylic acid quinolin-5-ylamide
CID 653308
{4-[2-(Benzhydryl-amino)-propionyl]-piperazin-1-yl}-(2-methyl-pyridin-3-yl)-acetonitrile
CID 10072623
{4-[2-(1,1-Diphenyl-ethylamino)-acetyl]-piperazin-1-yl}-(2-methyl-pyridin-3-yl)-acetonitrile
CID 10095446
2-[4-[(2R)-2-(benzhydrylamino)propanoyl]piperazin-1-yl]-2-(2-methyl-3-pyridinyl)acetonitrile
CID 10366660
3-[[[3-(4-Ethylpiperazin-1-yl)-7-(trifluoromethyl)quinolin-5-yl]amino]methyl]benzonitrile
CID 50997098
N-(3-Cyanophenyl)-2-(3-(6-methylpyridin-2-yl)-4-(quinolin-6-yl)-1H-pyrazol-1-yl)acetamide
CID 52920793
N,N'-bis(7-methylquinolin-4-yl)ethane-1,2-diamine
CID 118717456
Senexin C
CID 146403432

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3-cyano-2-[4-[2-(methylamino)phenyl]phenyl]-1,7-naphthyridin-4-yl]amino]butanamide?
The IUPAC name of (2R)-2-[[3-cyano-2-[4-[2-(methylamino)phenyl]phenyl]-1,7-naphthyridin-4-yl]amino]butanamide (CID 171344275) is (2R)-2-[[3-cyano-2-[4-[2-(methylamino)phenyl]phenyl]-1,7-naphthyridin-4-yl]amino]butanamide.
What is the SMILES notation for (2R)-2-[[3-cyano-2-[4-[2-(methylamino)phenyl]phenyl]-1,7-naphthyridin-4-yl]amino]butanamide?
The canonical SMILES for (2R)-2-[[3-cyano-2-[4-[2-(methylamino)phenyl]phenyl]-1,7-naphthyridin-4-yl]amino]butanamide is CC[C@@H](Nc1c(C#N)c(-c2ccc(-c3ccccc3NC)cc2)nc2cnccc12)C(N)=O.
What is the InChIKey of (2R)-2-[[3-cyano-2-[4-[2-(methylamino)phenyl]phenyl]-1,7-naphthyridin-4-yl]amino]butanamide?
The InChIKey is XIZBITMDKFKYLC-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H24N6O/c1-3-21(26(28)33)31-25-19-12-13-30-15-23(19)32-24(20(25)14-27)17-10-8-16(9-11-17)18-6-4-5-7-22(18)29-2/h4-13,15,21,29H,3H2,1-2H3,(H2,28,33)(H,31,32)/t21-/m1/s1.
What are the key properties of (2R)-2-[[3-cyano-2-[4-[2-(methylamino)phenyl]phenyl]-1,7-naphthyridin-4-yl]amino]butanamide?
(2R)-2-[[3-cyano-2-[4-[2-(methylamino)phenyl]phenyl]-1,7-naphthyridin-4-yl]amino]butanamide has a molecular weight of 436.52 g/mol, XLogP of 4.55, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[3-cyano-2-[4-[2-(methylamino)phenyl]phenyl]-1,7-naphthyridin-4-yl]amino]butanamide is sourced from PubChem (CID 171344275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).