N-[3-(2,3-dimethylimidazol-4-yl)-1,7-naphthyridin-6-yl]cyclohexanecarboxamide

C20H23N5O — CID 138588999

IUPACN-[3-(2,3-dimethylimidazol-4-yl)-1,7-naphthyridin-6-yl]cyclohexanecarboxamide
SMILESCc1ncc(-c2cnc3cnc(NC(=O)C4CCCCC4)cc3c2)n1C
InChIInChI=1S/C20H23N5O/c1-13-21-12-18(25(13)2)16-8-15-9-19(23-11-17(15)22-10-16)24-20(26)14-6-4-3-5-7-14/h8-12,14H,3-7H2,1-2H3,(H,23,24,26)
InChIKeyJJUQQCMHZPKFCZ-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.86
Rot. Bonds3

About N-[3-(2,3-dimethylimidazol-4-yl)-1,7-naphthyridin-6-yl]cyclohexanecarboxamide

N-[3-(2,3-dimethylimidazol-4-yl)-1,7-naphthyridin-6-yl]cyclohexanecarboxamide (PubChem CID 138588999) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[3-(2,3-dimethylimidazol-4-yl)-1,7-naphthyridin-6-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-(2,3-dimethylimidazol-4-yl)-1,7-naphthyridin-6-yl]cyclohexanecarboxamide
PubChem CID138588999
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-[3-(2,3-dimethylimidazol-4-yl)-1,7-naphthyridin-6-yl]cyclohexanecarboxamide
SMILESCc1ncc(-c2cnc3cnc(NC(=O)C4CCCCC4)cc3c2)n1C
InChIInChI=1S/C20H23N5O/c1-13-21-12-18(25(13)2)16-8-15-9-19(23-11-17(15)22-10-16)24-20(26)14-6-4-3-5-7-14/h8-12,14H,3-7H2,1-2H3,(H,23,24,26)
InChIKeyJJUQQCMHZPKFCZ-UHFFFAOYSA-N
XLogP3.86
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]piperidine-4-carboxamide
CID 138590247
2-chloro-3,4,5,6-tetradeuterio-N-[3-(2,3-dimethylimidazol-4-yl)-1,7-naphthyridin-6-yl]benzamide
CID 138591292
4-[[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 138588832
1-[3-(2,3-dimethylimidazol-4-yl)-1,7-naphthyridin-6-yl]-3-piperidin-1-ylbutan-2-one
CID 158944256
N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide
CID 138589547
(3R)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)-1,7-naphthyridin-6-yl]piperidine-3-carboxamide
CID 138590972
N-[3-(5-methoxy-3-pyridinyl)-1,7-naphthyridin-6-yl]-1-methylpiperidine-4-carboxamide
CID 138586735
N-[3-(2-methyl-1,3-oxazol-4-yl)-1,7-naphthyridin-6-yl]-4-(4-methylpiperazin-1-yl)cyclohexane-1-carboxamide
CID 138588117
N-[3-(5-cyano-3-pyridinyl)-1,7-naphthyridin-6-yl]-1-methylpiperidine-4-carboxamide
CID 138589108
N-[3-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1,7-naphthyridin-6-yl]cyclopropanecarboxamide
CID 138586870
4-(hydroxymethyl)-N-[3-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]cyclohexane-1-carboxamide
CID 138590946
4-(1,1,1,3,3,3-hexadeuteriopropan-2-ylamino)-N-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxamide
CID 138587578

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dimethylimidazol-4-yl)-1,7-naphthyridin-6-yl]cyclohexanecarboxamide?
The IUPAC name of N-[3-(2,3-dimethylimidazol-4-yl)-1,7-naphthyridin-6-yl]cyclohexanecarboxamide (CID 138588999) is N-[3-(2,3-dimethylimidazol-4-yl)-1,7-naphthyridin-6-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-(2,3-dimethylimidazol-4-yl)-1,7-naphthyridin-6-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-(2,3-dimethylimidazol-4-yl)-1,7-naphthyridin-6-yl]cyclohexanecarboxamide is Cc1ncc(-c2cnc3cnc(NC(=O)C4CCCCC4)cc3c2)n1C.
What is the InChIKey of N-[3-(2,3-dimethylimidazol-4-yl)-1,7-naphthyridin-6-yl]cyclohexanecarboxamide?
The InChIKey is JJUQQCMHZPKFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-13-21-12-18(25(13)2)16-8-15-9-19(23-11-17(15)22-10-16)24-20(26)14-6-4-3-5-7-14/h8-12,14H,3-7H2,1-2H3,(H,23,24,26).
What are the key properties of N-[3-(2,3-dimethylimidazol-4-yl)-1,7-naphthyridin-6-yl]cyclohexanecarboxamide?
N-[3-(2,3-dimethylimidazol-4-yl)-1,7-naphthyridin-6-yl]cyclohexanecarboxamide has a molecular weight of 349.44 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dimethylimidazol-4-yl)-1,7-naphthyridin-6-yl]cyclohexanecarboxamide is sourced from PubChem (CID 138588999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).