2-N,2-N-dimethyl-5-N-(3-methylphenyl)-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide

C19H22N4O2 — CID 112521146

IUPAC2-N,2-N-dimethyl-5-N-(3-methylphenyl)-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
SMILESCc1cccc(NC(=O)c2cncc3c2CCN(C(=O)N(C)C)C3)c1
InChIInChI=1S/C19H22N4O2/c1-13-5-4-6-15(9-13)21-18(24)17-11-20-10-14-12-23(8-7-16(14)17)19(25)22(2)3/h4-6,9-11H,7-8,12H2,1-3H3,(H,21,24)
InChIKeyIGXGJPURPLGLRP-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.68
Rot. Bonds2

About 2-N,2-N-dimethyl-5-N-(3-methylphenyl)-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide

2-N,2-N-dimethyl-5-N-(3-methylphenyl)-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide (PubChem CID 112521146) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-5-N-(3-methylphenyl)-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N,2-N-dimethyl-5-N-(3-methylphenyl)-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
PubChem CID112521146
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-N,2-N-dimethyl-5-N-(3-methylphenyl)-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
SMILESCc1cccc(NC(=O)c2cncc3c2CCN(C(=O)N(C)C)C3)c1
InChIInChI=1S/C19H22N4O2/c1-13-5-4-6-15(9-13)21-18(24)17-11-20-10-14-12-23(8-7-16(14)17)19(25)22(2)3/h4-6,9-11H,7-8,12H2,1-3H3,(H,21,24)
InChIKeyIGXGJPURPLGLRP-UHFFFAOYSA-N
XLogP2.68
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-(1,2-dimethylbenzimidazol-5-yl)-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
CID 112527574
5-N-(3-chloro-2-methylphenyl)-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
CID 112520617
5-N-(5-chloro-2-methylphenyl)-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
CID 112523206
2-N,2-N-dimethyl-5-N-(2-methyl-1H-indol-4-yl)-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
CID 112526494
5-N-(1H-indol-7-yl)-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
CID 112526644
5-N-(1H-imidazol-2-yl)-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
CID 112524414
2-N,2-N-dimethyl-5-N-(2-methylpropyl)-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
CID 112520053
5-N-[(2-chlorophenyl)methyl]-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
CID 112522534
2-N,2-N-dimethyl-5-N-pyrrolidin-3-yl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
CID 112530807
5-N-[(4-fluorophenyl)methyl]-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
CID 112528408
7-acetyl-N-(4-chlorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112521021
7-acetyl-N-(3,5-dichlorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112525367

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-5-N-(3-methylphenyl)-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide?
The IUPAC name of 2-N,2-N-dimethyl-5-N-(3-methylphenyl)-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide (CID 112521146) is 2-N,2-N-dimethyl-5-N-(3-methylphenyl)-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide.
What is the SMILES notation for 2-N,2-N-dimethyl-5-N-(3-methylphenyl)-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide?
The canonical SMILES for 2-N,2-N-dimethyl-5-N-(3-methylphenyl)-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide is Cc1cccc(NC(=O)c2cncc3c2CCN(C(=O)N(C)C)C3)c1.
What is the InChIKey of 2-N,2-N-dimethyl-5-N-(3-methylphenyl)-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide?
The InChIKey is IGXGJPURPLGLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13-5-4-6-15(9-13)21-18(24)17-11-20-10-14-12-23(8-7-16(14)17)19(25)22(2)3/h4-6,9-11H,7-8,12H2,1-3H3,(H,21,24).
What are the key properties of 2-N,2-N-dimethyl-5-N-(3-methylphenyl)-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide?
2-N,2-N-dimethyl-5-N-(3-methylphenyl)-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-5-N-(3-methylphenyl)-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide is sourced from PubChem (CID 112521146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).