5-N-[(2-chlorophenyl)methyl]-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide

C19H21ClN4O2 — CID 112522534

IUPAC5-N-[(2-chlorophenyl)methyl]-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
SMILESCN(C)C(=O)N1CCc2c(cncc2C(=O)NCc2ccccc2Cl)C1
InChIInChI=1S/C19H21ClN4O2/c1-23(2)19(26)24-8-7-15-14(12-24)9-21-11-16(15)18(25)22-10-13-5-3-4-6-17(13)20/h3-6,9,11H,7-8,10,12H2,1-2H3,(H,22,25)
InChIKeyUCZPSZIKFFTBMF-UHFFFAOYSA-N
MW372.86 g/mol
LogP2.70
Rot. Bonds3

About 5-N-[(2-chlorophenyl)methyl]-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide

5-N-[(2-chlorophenyl)methyl]-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide (PubChem CID 112522534) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is 5-N-[(2-chlorophenyl)methyl]-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[(2-chlorophenyl)methyl]-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
PubChem CID112522534
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC Name5-N-[(2-chlorophenyl)methyl]-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
SMILESCN(C)C(=O)N1CCc2c(cncc2C(=O)NCc2ccccc2Cl)C1
InChIInChI=1S/C19H21ClN4O2/c1-23(2)19(26)24-8-7-15-14(12-24)9-21-11-16(15)18(25)22-10-13-5-3-4-6-17(13)20/h3-6,9,11H,7-8,10,12H2,1-2H3,(H,22,25)
InChIKeyUCZPSZIKFFTBMF-UHFFFAOYSA-N
XLogP2.70
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,2-N-dimethyl-5-N-(2-methylpropyl)-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
CID 112520053
5-N-(3-chloro-2-methylphenyl)-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
CID 112520617
2-N,2-N-dimethyl-5-N-[(4-methylsulfonylphenyl)methyl]-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
CID 112522295
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-(3-methylphenyl)-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
CID 112521146
7-acetyl-N-(pyridin-4-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112522226
5-N-(1H-imidazol-2-yl)-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
CID 112524414
5-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
CID 112529860
7-acetyl-N-[2-(2-methoxyphenyl)ethyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112529305
5-N-(1H-indol-7-yl)-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
CID 112526644
7-methyl-N-[2-(2-methylphenyl)ethyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112529239
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

Frequently Asked Questions

What is the IUPAC name of 5-N-[(2-chlorophenyl)methyl]-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide?
The IUPAC name of 5-N-[(2-chlorophenyl)methyl]-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide (CID 112522534) is 5-N-[(2-chlorophenyl)methyl]-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide.
What is the SMILES notation for 5-N-[(2-chlorophenyl)methyl]-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide?
The canonical SMILES for 5-N-[(2-chlorophenyl)methyl]-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide is CN(C)C(=O)N1CCc2c(cncc2C(=O)NCc2ccccc2Cl)C1.
What is the InChIKey of 5-N-[(2-chlorophenyl)methyl]-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide?
The InChIKey is UCZPSZIKFFTBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2/c1-23(2)19(26)24-8-7-15-14(12-24)9-21-11-16(15)18(25)22-10-13-5-3-4-6-17(13)20/h3-6,9,11H,7-8,10,12H2,1-2H3,(H,22,25).
What are the key properties of 5-N-[(2-chlorophenyl)methyl]-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide?
5-N-[(2-chlorophenyl)methyl]-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide has a molecular weight of 372.86 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(2-chlorophenyl)methyl]-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide is sourced from PubChem (CID 112522534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).