4-(dimethylamino)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide

C21H26N6O — CID 138586982

IUPAC4-(dimethylamino)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide
SMILESCN(C)C1CCC(C(=O)Nc2cc3cc(-c4cnn(C)c4)ncc3cn2)CC1
InChIInChI=1S/C21H26N6O/c1-26(2)18-6-4-14(5-7-18)21(28)25-20-9-15-8-19(17-12-24-27(3)13-17)22-10-16(15)11-23-20/h8-14,18H,4-7H2,1-3H3,(H,23,25,28)
InChIKeyVESJYOXROOHWLF-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.09
Rot. Bonds4

About 4-(dimethylamino)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide

4-(dimethylamino)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide (PubChem CID 138586982) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide
PubChem CID138586982
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name4-(dimethylamino)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide
SMILESCN(C)C1CCC(C(=O)Nc2cc3cc(-c4cnn(C)c4)ncc3cn2)CC1
InChIInChI=1S/C21H26N6O/c1-26(2)18-6-4-14(5-7-18)21(28)25-20-9-15-8-19(17-12-24-27(3)13-17)22-10-16(15)11-23-20/h8-14,18H,4-7H2,1-3H3,(H,23,25,28)
InChIKeyVESJYOXROOHWLF-UHFFFAOYSA-N
XLogP3.09
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide
CID 138587611
4,4-difluoro-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide
CID 138591258
4-[(3-fluoroazetidin-1-yl)methyl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide
CID 138588253
tert-butyl N-[4-[[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]carbamoyl]cyclohexyl]carbamate
CID 138605024
1-(2-methylpropyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]azepane-4-carboxamide
CID 138588754
1-(2-methylpropyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-3-carboxamide
CID 138587966
1-(benzenesulfonyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-4-carboxamide
CID 138589903
2-[3-(dimethylamino)azetidin-1-yl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1,3-thiazole-5-carboxamide
CID 138588597
3-methyl-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
CID 138588848
N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-[(2R)-2-methylpyrrolidin-1-yl]acetamide
CID 138587844
2-(3-fluoropyrrolidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide
CID 138588734
2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide
CID 138591471

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(dimethylamino)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide (CID 138586982) is 4-(dimethylamino)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(dimethylamino)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(dimethylamino)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide is CN(C)C1CCC(C(=O)Nc2cc3cc(-c4cnn(C)c4)ncc3cn2)CC1.
What is the InChIKey of 4-(dimethylamino)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide?
The InChIKey is VESJYOXROOHWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-26(2)18-6-4-14(5-7-18)21(28)25-20-9-15-8-19(17-12-24-27(3)13-17)22-10-16(15)11-23-20/h8-14,18H,4-7H2,1-3H3,(H,23,25,28).
What are the key properties of 4-(dimethylamino)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide?
4-(dimethylamino)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 138586982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).