2-chloro-3,4,5,6-tetradeuterio-N-[3-(2,3-dimethylimidazol-4-yl)-1,7-naphthyridin-6-yl]benzamide

C20H16ClN5O — CID 138591292

IUPAC2-chloro-3,4,5,6-tetradeuterio-N-[3-(2,3-dimethylimidazol-4-yl)-1,7-naphthyridin-6-yl]benzamide
SMILES[2H]c1c([2H])c([2H])c(C(=O)Nc2cc3cc(-c4cnc(C)n4C)cnc3cn2)c(Cl)c1[2H]
InChIInChI=1S/C20H16ClN5O/c1-12-22-11-18(26(12)2)14-7-13-8-19(24-10-17(13)23-9-14)25-20(27)15-5-3-4-6-16(15)21/h3-11H,1-2H3,(H,24,25,27)/i3D,4D,5D,6D
InChIKeyYOSIUXHYTXNTOZ-LNFUJOGGSA-N
MW381.86 g/mol
LogP4.24
Rot. Bonds3

About 2-chloro-3,4,5,6-tetradeuterio-N-[3-(2,3-dimethylimidazol-4-yl)-1,7-naphthyridin-6-yl]benzamide

2-chloro-3,4,5,6-tetradeuterio-N-[3-(2,3-dimethylimidazol-4-yl)-1,7-naphthyridin-6-yl]benzamide (PubChem CID 138591292) has the molecular formula C20H16ClN5O and a molecular weight of 381.86 g/mol. Its IUPAC name is 2-chloro-3,4,5,6-tetradeuterio-N-[3-(2,3-dimethylimidazol-4-yl)-1,7-naphthyridin-6-yl]benzamide.

Molecular Properties

Compound Name2-chloro-3,4,5,6-tetradeuterio-N-[3-(2,3-dimethylimidazol-4-yl)-1,7-naphthyridin-6-yl]benzamide
PubChem CID138591292
Molecular FormulaC20H16ClN5O
Molecular Weight381.86 g/mol
Exact Mass381.13
IUPAC Name2-chloro-3,4,5,6-tetradeuterio-N-[3-(2,3-dimethylimidazol-4-yl)-1,7-naphthyridin-6-yl]benzamide
SMILES[2H]c1c([2H])c([2H])c(C(=O)Nc2cc3cc(-c4cnc(C)n4C)cnc3cn2)c(Cl)c1[2H]
InChIInChI=1S/C20H16ClN5O/c1-12-22-11-18(26(12)2)14-7-13-8-19(24-10-17(13)23-9-14)25-20(27)15-5-3-4-6-16(15)21/h3-11H,1-2H3,(H,24,25,27)/i3D,4D,5D,6D
InChIKeyYOSIUXHYTXNTOZ-LNFUJOGGSA-N
XLogP4.24
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2,3-dimethylimidazol-4-yl)-1,7-naphthyridin-6-yl]cyclohexanecarboxamide
CID 138588999
1-[3-(2,3-dimethylimidazol-4-yl)-1,7-naphthyridin-6-yl]-3-piperidin-1-ylbutan-2-one
CID 158944256
2-methoxy-N-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide
CID 138590337
N-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 138587338
2-cyano-N-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide
CID 138586987
N-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]-2-propan-2-yloxyacetamide
CID 138590644
N-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]-2-(1-methylpyrazol-4-yl)acetamide
CID 138587202
6-(2,3-dimethylimidazol-4-yl)-N-[(E)-prop-1-enyl]isoquinolin-3-amine
CID 166954727
N-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]-3-propan-2-yloxypropanamide
CID 138588532
N-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-7-pyrrolidin-1-yl-2H-azepine-5-carboxamide
CID 166787117
4-[2-amino-5-(2,3-dimethylimidazol-4-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 118045864
2,2,3,3-tetramethyl-N-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]cyclopropane-1-carboxamide
CID 138590781

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3,4,5,6-tetradeuterio-N-[3-(2,3-dimethylimidazol-4-yl)-1,7-naphthyridin-6-yl]benzamide?
The IUPAC name of 2-chloro-3,4,5,6-tetradeuterio-N-[3-(2,3-dimethylimidazol-4-yl)-1,7-naphthyridin-6-yl]benzamide (CID 138591292) is 2-chloro-3,4,5,6-tetradeuterio-N-[3-(2,3-dimethylimidazol-4-yl)-1,7-naphthyridin-6-yl]benzamide.
What is the SMILES notation for 2-chloro-3,4,5,6-tetradeuterio-N-[3-(2,3-dimethylimidazol-4-yl)-1,7-naphthyridin-6-yl]benzamide?
The canonical SMILES for 2-chloro-3,4,5,6-tetradeuterio-N-[3-(2,3-dimethylimidazol-4-yl)-1,7-naphthyridin-6-yl]benzamide is [2H]c1c([2H])c([2H])c(C(=O)Nc2cc3cc(-c4cnc(C)n4C)cnc3cn2)c(Cl)c1[2H].
What is the InChIKey of 2-chloro-3,4,5,6-tetradeuterio-N-[3-(2,3-dimethylimidazol-4-yl)-1,7-naphthyridin-6-yl]benzamide?
The InChIKey is YOSIUXHYTXNTOZ-LNFUJOGGSA-N. The full InChI is InChI=1S/C20H16ClN5O/c1-12-22-11-18(26(12)2)14-7-13-8-19(24-10-17(13)23-9-14)25-20(27)15-5-3-4-6-16(15)21/h3-11H,1-2H3,(H,24,25,27)/i3D,4D,5D,6D.
What are the key properties of 2-chloro-3,4,5,6-tetradeuterio-N-[3-(2,3-dimethylimidazol-4-yl)-1,7-naphthyridin-6-yl]benzamide?
2-chloro-3,4,5,6-tetradeuterio-N-[3-(2,3-dimethylimidazol-4-yl)-1,7-naphthyridin-6-yl]benzamide has a molecular weight of 381.86 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,4,5,6-tetradeuterio-N-[3-(2,3-dimethylimidazol-4-yl)-1,7-naphthyridin-6-yl]benzamide is sourced from PubChem (CID 138591292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).