N-(2-hydroxycyclohexyl)-4-methyl-8-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carboxamide

C20H27N5O3 — CID 134312524

IUPACN-(2-hydroxycyclohexyl)-4-methyl-8-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carboxamide
SMILESCN1CCOc2c(Cc3cnn(C)c3)cc(C(=O)NC3CCCCC3O)nc21
InChIInChI=1S/C20H27N5O3/c1-24-7-8-28-18-14(9-13-11-21-25(2)12-13)10-16(22-19(18)24)20(27)23-15-5-3-4-6-17(15)26/h10-12,15,17,26H,3-9H2,1-2H3,(H,23,27)
InChIKeyQXGGBOIRFDKPRC-UHFFFAOYSA-N
MW385.47 g/mol
LogP1.27
Rot. Bonds4

About N-(2-hydroxycyclohexyl)-4-methyl-8-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carboxamide

N-(2-hydroxycyclohexyl)-4-methyl-8-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carboxamide (PubChem CID 134312524) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-(2-hydroxycyclohexyl)-4-methyl-8-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxycyclohexyl)-4-methyl-8-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carboxamide
PubChem CID134312524
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC NameN-(2-hydroxycyclohexyl)-4-methyl-8-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carboxamide
SMILESCN1CCOc2c(Cc3cnn(C)c3)cc(C(=O)NC3CCCCC3O)nc21
InChIInChI=1S/C20H27N5O3/c1-24-7-8-28-18-14(9-13-11-21-25(2)12-13)10-16(22-19(18)24)20(27)23-15-5-3-4-6-17(15)26/h10-12,15,17,26H,3-9H2,1-2H3,(H,23,27)
InChIKeyQXGGBOIRFDKPRC-UHFFFAOYSA-N
XLogP1.27
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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-[(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
2-[8-[(4-fluorophenyl)methyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 153324619
N-[(1S,2S)-2-hydroxycyclohexyl]-5,6-dimethyl-4-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyridine-2-carboxamide
CID 129017580
N-cyclohexyl-8-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide
CID 134312591
1-(2-hydroxycyclohexyl)-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 110933352
5-chloro-4-[[6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-6-methylpyridine-2-carboxamide
CID 129017531
7-[(6-chloro-3-pyridinyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methylpyrrolo[3,2-b]pyridine-5-carboxamide
CID 134312620
7-[(4-fluorophenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methylpyrrolo[3,2-b]pyridine-5-carboxamide
CID 134312578
N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]thieno[2,3-b]pyridine-6-carboxamide
CID 150560056
N-[(3R,4S)-3-hydroxyoxan-4-yl]-7-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2,3-dihydrofuro[3,2-b]pyridine-5-carboxamide
CID 142503659
N-[(1R,2R)-2-hydroxycyclohexyl]-1,3-dimethylpyrazole-4-carboxamide
CID 104927400

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclohexyl)-4-methyl-8-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carboxamide?
The IUPAC name of N-(2-hydroxycyclohexyl)-4-methyl-8-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carboxamide (CID 134312524) is N-(2-hydroxycyclohexyl)-4-methyl-8-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carboxamide.
What is the SMILES notation for N-(2-hydroxycyclohexyl)-4-methyl-8-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carboxamide?
The canonical SMILES for N-(2-hydroxycyclohexyl)-4-methyl-8-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carboxamide is CN1CCOc2c(Cc3cnn(C)c3)cc(C(=O)NC3CCCCC3O)nc21.
What is the InChIKey of N-(2-hydroxycyclohexyl)-4-methyl-8-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carboxamide?
The InChIKey is QXGGBOIRFDKPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-24-7-8-28-18-14(9-13-11-21-25(2)12-13)10-16(22-19(18)24)20(27)23-15-5-3-4-6-17(15)26/h10-12,15,17,26H,3-9H2,1-2H3,(H,23,27).
What are the key properties of N-(2-hydroxycyclohexyl)-4-methyl-8-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carboxamide?
N-(2-hydroxycyclohexyl)-4-methyl-8-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclohexyl)-4-methyl-8-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carboxamide is sourced from PubChem (CID 134312524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).