3-(4-hydroxycyclohexyl)-2-N-methylpyridine-2,4-dicarboxamide

C14H19N3O3 — CID 138706684

IUPAC3-(4-hydroxycyclohexyl)-2-N-methylpyridine-2,4-dicarboxamide
SMILESCNC(=O)c1nccc(C(N)=O)c1C1CCC(O)CC1
InChIInChI=1S/C14H19N3O3/c1-16-14(20)12-11(8-2-4-9(18)5-3-8)10(13(15)19)6-7-17-12/h6-9,18H,2-5H2,1H3,(H2,15,19)(H,16,20)
InChIKeyFNHRVKZAQPSFAG-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.56
Rot. Bonds3

About 3-(4-hydroxycyclohexyl)-2-N-methylpyridine-2,4-dicarboxamide

3-(4-hydroxycyclohexyl)-2-N-methylpyridine-2,4-dicarboxamide (PubChem CID 138706684) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-(4-hydroxycyclohexyl)-2-N-methylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name3-(4-hydroxycyclohexyl)-2-N-methylpyridine-2,4-dicarboxamide
PubChem CID138706684
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name3-(4-hydroxycyclohexyl)-2-N-methylpyridine-2,4-dicarboxamide
SMILESCNC(=O)c1nccc(C(N)=O)c1C1CCC(O)CC1
InChIInChI=1S/C14H19N3O3/c1-16-14(20)12-11(8-2-4-9(18)5-3-8)10(13(15)19)6-7-17-12/h6-9,18H,2-5H2,1H3,(H2,15,19)(H,16,20)
InChIKeyFNHRVKZAQPSFAG-UHFFFAOYSA-N
XLogP0.56
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxycyclohexyl)-2-N-methylpyridine-2,4-dicarboxamide?
The IUPAC name of 3-(4-hydroxycyclohexyl)-2-N-methylpyridine-2,4-dicarboxamide (CID 138706684) is 3-(4-hydroxycyclohexyl)-2-N-methylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 3-(4-hydroxycyclohexyl)-2-N-methylpyridine-2,4-dicarboxamide?
The canonical SMILES for 3-(4-hydroxycyclohexyl)-2-N-methylpyridine-2,4-dicarboxamide is CNC(=O)c1nccc(C(N)=O)c1C1CCC(O)CC1.
What is the InChIKey of 3-(4-hydroxycyclohexyl)-2-N-methylpyridine-2,4-dicarboxamide?
The InChIKey is FNHRVKZAQPSFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-16-14(20)12-11(8-2-4-9(18)5-3-8)10(13(15)19)6-7-17-12/h6-9,18H,2-5H2,1H3,(H2,15,19)(H,16,20).
What are the key properties of 3-(4-hydroxycyclohexyl)-2-N-methylpyridine-2,4-dicarboxamide?
3-(4-hydroxycyclohexyl)-2-N-methylpyridine-2,4-dicarboxamide has a molecular weight of 277.32 g/mol, XLogP of 0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxycyclohexyl)-2-N-methylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 138706684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).