2-[[5-chloro-2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]amino]-N,N-dimethylbenzamide

C23H26ClN7O2 — CID 167216952

IUPAC2-[[5-chloro-2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]amino]-N,N-dimethylbenzamide
SMILESCOc1nc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3C(=O)N(C)C)n1)CN(C)CC2
InChIInChI=1S/C23H26ClN7O2/c1-30(2)22(32)15-7-5-6-8-18(15)26-20-16(24)12-25-23(29-20)28-19-11-14-13-31(3)10-9-17(14)27-21(19)33-4/h5-8,11-12H,9-10,13H2,1-4H3,(H2,25,26,28,29)
InChIKeyNEOAJNYQWJVTTN-UHFFFAOYSA-N
MW467.96 g/mol
LogP3.71
Rot. Bonds6

About 2-[[5-chloro-2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]amino]-N,N-dimethylbenzamide

2-[[5-chloro-2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]amino]-N,N-dimethylbenzamide (PubChem CID 167216952) has the molecular formula C23H26ClN7O2 and a molecular weight of 467.96 g/mol. Its IUPAC name is 2-[[5-chloro-2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-[[5-chloro-2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]amino]-N,N-dimethylbenzamide
PubChem CID167216952
Molecular FormulaC23H26ClN7O2
Molecular Weight467.96 g/mol
Exact Mass467.18
IUPAC Name2-[[5-chloro-2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]amino]-N,N-dimethylbenzamide
SMILESCOc1nc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3C(=O)N(C)C)n1)CN(C)CC2
InChIInChI=1S/C23H26ClN7O2/c1-30(2)22(32)15-7-5-6-8-18(15)26-20-16(24)12-25-23(29-20)28-19-11-14-13-31(3)10-9-17(14)27-21(19)33-4/h5-8,11-12H,9-10,13H2,1-4H3,(H2,25,26,28,29)
InChIKeyNEOAJNYQWJVTTN-UHFFFAOYSA-N
XLogP3.71
TPSA95.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.96
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[5-chloro-2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]amino]-N,N-dimethylbenzamide with MolForge

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Related Compounds

3-[[5-chloro-4-(2-dimethylphosphanyloxy-4-fluorosulfonyloxyanilino)pyrimidin-2-yl]amino]-2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridine
CID 170078380
2-[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]quinazolin-8-yl]-N-methylbenzamide
CID 163272413
2-[2-[[5-chloro-2-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]amino]phenyl]-N,N-dimethyl-2-oxoacetamide
CID 87055760
2-[[5-chloro-2-[[3-[2-(dimethylamino)-2-oxoethyl]-7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-8-yl]amino]pyrimidin-4-yl]amino]-N-ethylbenzamide
CID 66830131
7-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol
CID 174055286
N-[5-[[5-chloro-4-[2-[2-(dimethylamino)-2-oxoacetyl]anilino]pyrimidin-2-yl]amino]-4-methoxy-2-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide
CID 87055351
2-[[5-chloro-2-[[2-[(4-methylpiperazin-1-yl)methyl]-3H-benzimidazol-5-yl]amino]pyrimidin-4-yl]amino]-N,N-dimethylbenzamide
CID 154640739
2-[2-[[5-chloro-2-[(1,6-dimethyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]amino]phenyl]sulfanylacetic acid
CID 167216728
5-chloro-2-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-4-N-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 178043944
8-N-cyclopentyl-2-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 167049862
2-[[5-chloro-2-[[3-(2-methoxyethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]amino]pyrimidin-4-yl]amino]-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 66830286
3-[[[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-1-methylpyridin-2-one
CID 165400728

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 2-[[5-chloro-2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]amino]-N,N-dimethylbenzamide (CID 167216952) is 2-[[5-chloro-2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-[[5-chloro-2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 2-[[5-chloro-2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]amino]-N,N-dimethylbenzamide is COc1nc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3C(=O)N(C)C)n1)CN(C)CC2.
What is the InChIKey of 2-[[5-chloro-2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]amino]-N,N-dimethylbenzamide?
The InChIKey is NEOAJNYQWJVTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN7O2/c1-30(2)22(32)15-7-5-6-8-18(15)26-20-16(24)12-25-23(29-20)28-19-11-14-13-31(3)10-9-17(14)27-21(19)33-4/h5-8,11-12H,9-10,13H2,1-4H3,(H2,25,26,28,29).
What are the key properties of 2-[[5-chloro-2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]amino]-N,N-dimethylbenzamide?
2-[[5-chloro-2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]amino]-N,N-dimethylbenzamide has a molecular weight of 467.96 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 167216952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).