N-cyclohexyl-8-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide

C25H28N4O3 — CID 134312591

IUPACN-cyclohexyl-8-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide
SMILESCn1cc(-c2ccc(Cc3cc(C(=O)NC4CCCCC4)nc4c3OCCO4)cc2)cn1
InChIInChI=1S/C25H28N4O3/c1-29-16-20(15-26-29)18-9-7-17(8-10-18)13-19-14-22(28-25-23(19)31-11-12-32-25)24(30)27-21-5-3-2-4-6-21/h7-10,14-16,21H,2-6,11-13H2,1H3,(H,27,30)
InChIKeyRCHLGXMMUAGLIK-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.91
Rot. Bonds5

About N-cyclohexyl-8-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide

N-cyclohexyl-8-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide (PubChem CID 134312591) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-cyclohexyl-8-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-8-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide
PubChem CID134312591
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC NameN-cyclohexyl-8-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide
SMILESCn1cc(-c2ccc(Cc3cc(C(=O)NC4CCCCC4)nc4c3OCCO4)cc2)cn1
InChIInChI=1S/C25H28N4O3/c1-29-16-20(15-26-29)18-9-7-17(8-10-18)13-19-14-22(28-25-23(19)31-11-12-32-25)24(30)27-21-5-3-2-4-6-21/h7-10,14-16,21H,2-6,11-13H2,1H3,(H,27,30)
InChIKeyRCHLGXMMUAGLIK-UHFFFAOYSA-N
XLogP3.91
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S,2S)-2-hydroxycyclohexyl]-8-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide
CID 134312590
N-cyclohexyl-1-methyl-4-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide
CID 142297464
N-cyclohexyl-8-[(2-fluoro-4-pyridinyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide
CID 134312560
N-[(1S,2S)-2-hydroxycyclohexyl]-5,6-dimethyl-4-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyridine-2-carboxamide
CID 129017580
1-fluoro-4-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)naphthalene-2-carboxamide
CID 118266817
N-(2-hydroxycyclohexyl)-4-methyl-8-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carboxamide
CID 134312524
8-[(6-chloro-3-pyridinyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carboxamide
CID 142751744
N-cyclopentyl-2-[4-(1-methylpyrazol-4-yl)phenoxy]acetamide
CID 119055385
N-cyclohexyl-1-methyl-4-[[6-(6-methyl-3-pyridinyl)-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide
CID 134312545
N-[(1R,2R)-2-hydroxycyclohexyl]-3,7-dimethyl-6-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]benzimidazole-4-carboxamide
CID 155133238
N-[(1S,2S)-2-hydroxycyclohexyl]-3,7-dimethyl-6-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]benzimidazole-4-carboxamide
CID 155125003
N-cyclohexyl-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide
CID 123838231

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-8-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide?
The IUPAC name of N-cyclohexyl-8-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide (CID 134312591) is N-cyclohexyl-8-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide.
What is the SMILES notation for N-cyclohexyl-8-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide?
The canonical SMILES for N-cyclohexyl-8-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide is Cn1cc(-c2ccc(Cc3cc(C(=O)NC4CCCCC4)nc4c3OCCO4)cc2)cn1.
What is the InChIKey of N-cyclohexyl-8-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide?
The InChIKey is RCHLGXMMUAGLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-29-16-20(15-26-29)18-9-7-17(8-10-18)13-19-14-22(28-25-23(19)31-11-12-32-25)24(30)27-21-5-3-2-4-6-21/h7-10,14-16,21H,2-6,11-13H2,1H3,(H,27,30).
What are the key properties of N-cyclohexyl-8-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide?
N-cyclohexyl-8-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-8-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 134312591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).