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

C20H23N5O2 — CID 138590394

IUPAC4-(hydroxymethyl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]cyclohexane-1-carboxamide
SMILESCn1cc(-c2ccc3cnc(NC(=O)C4CCC(CO)CC4)cc3n2)cn1
InChIInChI=1S/C20H23N5O2/c1-25-11-16(10-22-25)17-7-6-15-9-21-19(8-18(15)23-17)24-20(27)14-4-2-13(12-26)3-5-14/h6-11,13-14,26H,2-5,12H2,1H3,(H,21,24,27)
InChIKeyRGUAXFOJJJWHNX-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.77
Rot. Bonds4

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

4-(hydroxymethyl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]cyclohexane-1-carboxamide (PubChem CID 138590394) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]cyclohexane-1-carboxamide
PubChem CID138590394
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name4-(hydroxymethyl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]cyclohexane-1-carboxamide
SMILESCn1cc(-c2ccc3cnc(NC(=O)C4CCC(CO)CC4)cc3n2)cn1
InChIInChI=1S/C20H23N5O2/c1-25-11-16(10-22-25)17-7-6-15-9-21-19(8-18(15)23-17)24-20(27)14-4-2-13(12-26)3-5-14/h6-11,13-14,26H,2-5,12H2,1H3,(H,21,24,27)
InChIKeyRGUAXFOJJJWHNX-UHFFFAOYSA-N
XLogP2.77
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-fluoropropyl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-4-carboxamide
CID 138586986
1-(2-methylpropyl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-3-carboxamide
CID 138588767
N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-2-carboxamide
CID 138589589
2-(4-hydroxypiperidin-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide
CID 138590290
2-[1-(2-methylpropyl)pyrrolidin-3-yl]-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide
CID 138589895
2-[4-(difluoromethyl)piperidin-1-yl]-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide
CID 138588097
4-amino-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide
CID 138587611
2-(4-methylmorpholin-2-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide
CID 138587881
2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide
CID 138589540
1-(4-aminocyclohexyl)-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone
CID 157443965
4-[(3-fluoroazetidin-1-yl)methyl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide
CID 138588253
1-(1-ethylpiperidin-4-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]pyrazole-4-carboxamide
CID 138591491

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]cyclohexane-1-carboxamide (CID 138590394) is 4-(hydroxymethyl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]cyclohexane-1-carboxamide is Cn1cc(-c2ccc3cnc(NC(=O)C4CCC(CO)CC4)cc3n2)cn1.
What is the InChIKey of 4-(hydroxymethyl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]cyclohexane-1-carboxamide?
The InChIKey is RGUAXFOJJJWHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-25-11-16(10-22-25)17-7-6-15-9-21-19(8-18(15)23-17)24-20(27)14-4-2-13(12-26)3-5-14/h6-11,13-14,26H,2-5,12H2,1H3,(H,21,24,27).
What are the key properties of 4-(hydroxymethyl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]cyclohexane-1-carboxamide?
4-(hydroxymethyl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]cyclohexane-1-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 138590394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).