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

C21H24N6O2 — CID 112527574

IUPAC5-N-(1,2-dimethylbenzimidazol-5-yl)-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
SMILESCc1nc2cc(NC(=O)c3cncc4c3CCN(C(=O)N(C)C)C4)ccc2n1C
InChIInChI=1S/C21H24N6O2/c1-13-23-18-9-15(5-6-19(18)26(13)4)24-20(28)17-11-22-10-14-12-27(8-7-16(14)17)21(29)25(2)3/h5-6,9-11H,7-8,12H2,1-4H3,(H,24,28)
InChIKeyBTGZJMRMSYPMPW-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.57
Rot. Bonds2

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

5-N-(1,2-dimethylbenzimidazol-5-yl)-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide (PubChem CID 112527574) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 5-N-(1,2-dimethylbenzimidazol-5-yl)-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(1,2-dimethylbenzimidazol-5-yl)-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
PubChem CID112527574
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name5-N-(1,2-dimethylbenzimidazol-5-yl)-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
SMILESCc1nc2cc(NC(=O)c3cncc4c3CCN(C(=O)N(C)C)C4)ccc2n1C
InChIInChI=1S/C21H24N6O2/c1-13-23-18-9-15(5-6-19(18)26(13)4)24-20(28)17-11-22-10-14-12-27(8-7-16(14)17)21(29)25(2)3/h5-6,9-11H,7-8,12H2,1-4H3,(H,24,28)
InChIKeyBTGZJMRMSYPMPW-UHFFFAOYSA-N
XLogP2.57
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,2-N-dimethyl-5-N-(3-methylphenyl)-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
CID 112521146
5-N-(5-chloro-2-methylphenyl)-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
CID 112523206
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-(1H-imidazol-2-yl)-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
CID 112524414
7-acetyl-N-(4-methylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112521061
5-N-(1H-indol-7-yl)-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
CID 112526644
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
2-N,2-N-dimethyl-5-N-(2-methylpropyl)-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
CID 112520053
3-(1,2-dimethylbenzimidazol-5-yl)-1,1-dimethylurea
CID 110869161
7-acetyl-N-(4-chlorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112521021
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

Frequently Asked Questions

What is the IUPAC name of 5-N-(1,2-dimethylbenzimidazol-5-yl)-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide?
The IUPAC name of 5-N-(1,2-dimethylbenzimidazol-5-yl)-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide (CID 112527574) is 5-N-(1,2-dimethylbenzimidazol-5-yl)-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide.
What is the SMILES notation for 5-N-(1,2-dimethylbenzimidazol-5-yl)-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide?
The canonical SMILES for 5-N-(1,2-dimethylbenzimidazol-5-yl)-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide is Cc1nc2cc(NC(=O)c3cncc4c3CCN(C(=O)N(C)C)C4)ccc2n1C.
What is the InChIKey of 5-N-(1,2-dimethylbenzimidazol-5-yl)-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide?
The InChIKey is BTGZJMRMSYPMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-13-23-18-9-15(5-6-19(18)26(13)4)24-20(28)17-11-22-10-14-12-27(8-7-16(14)17)21(29)25(2)3/h5-6,9-11H,7-8,12H2,1-4H3,(H,24,28).
What are the key properties of 5-N-(1,2-dimethylbenzimidazol-5-yl)-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide?
5-N-(1,2-dimethylbenzimidazol-5-yl)-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1,2-dimethylbenzimidazol-5-yl)-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide is sourced from PubChem (CID 112527574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).