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

C19H21ClN4O2 — CID 112520617

IUPAC5-N-(3-chloro-2-methylphenyl)-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cncc2c1CCN(C(=O)N(C)C)C2
InChIInChI=1S/C19H21ClN4O2/c1-12-16(20)5-4-6-17(12)22-18(25)15-10-21-9-13-11-24(8-7-14(13)15)19(26)23(2)3/h4-6,9-10H,7-8,11H2,1-3H3,(H,22,25)
InChIKeyIIKGPLORMIOKNI-UHFFFAOYSA-N
MW372.86 g/mol
LogP3.34
Rot. Bonds2

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

5-N-(3-chloro-2-methylphenyl)-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide (PubChem CID 112520617) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is 5-N-(3-chloro-2-methylphenyl)-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(3-chloro-2-methylphenyl)-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
PubChem CID112520617
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC Name5-N-(3-chloro-2-methylphenyl)-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cncc2c1CCN(C(=O)N(C)C)C2
InChIInChI=1S/C19H21ClN4O2/c1-12-16(20)5-4-6-17(12)22-18(25)15-10-21-9-13-11-24(8-7-14(13)15)19(26)23(2)3/h4-6,9-10H,7-8,11H2,1-3H3,(H,22,25)
InChIKeyIIKGPLORMIOKNI-UHFFFAOYSA-N
XLogP3.34
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-(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-(3-methylphenyl)-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
CID 112521146
7-acetyl-N-(2,3-dimethylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112522571
5-N-[(2-chlorophenyl)methyl]-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
CID 112522534
5-N-(1H-imidazol-2-yl)-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
CID 112524414
ethyl 5-[(2,3-dimethylphenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112522574
methyl 5-[(2-methylphenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112520462
2-N,2-N-dimethyl-5-N-(2-methylpropyl)-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
CID 112520053
methyl 5-[(2,4-dichlorophenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112523962
2-N,2-N-dimethyl-5-N-pyrrolidin-3-yl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
CID 112530807

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-chloro-2-methylphenyl)-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide?
The IUPAC name of 5-N-(3-chloro-2-methylphenyl)-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide (CID 112520617) is 5-N-(3-chloro-2-methylphenyl)-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide.
What is the SMILES notation for 5-N-(3-chloro-2-methylphenyl)-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide?
The canonical SMILES for 5-N-(3-chloro-2-methylphenyl)-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide is Cc1c(Cl)cccc1NC(=O)c1cncc2c1CCN(C(=O)N(C)C)C2.
What is the InChIKey of 5-N-(3-chloro-2-methylphenyl)-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide?
The InChIKey is IIKGPLORMIOKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2/c1-12-16(20)5-4-6-17(12)22-18(25)15-10-21-9-13-11-24(8-7-14(13)15)19(26)23(2)3/h4-6,9-10H,7-8,11H2,1-3H3,(H,22,25).
What are the key properties of 5-N-(3-chloro-2-methylphenyl)-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide?
5-N-(3-chloro-2-methylphenyl)-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 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-chloro-2-methylphenyl)-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide is sourced from PubChem (CID 112520617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).