1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-[(1R,2S)-2-methyl-2-propan-2-yloxycyclopropyl]urea

C17H27N3O3 — CID 136584209

IUPAC1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-[(1R,2S)-2-methyl-2-propan-2-yloxycyclopropyl]urea
SMILESCOc1nc(C)cc(C)c1CNC(=O)N[C@@H]1C[C@]1(C)OC(C)C
InChIInChI=1S/C17H27N3O3/c1-10(2)23-17(5)8-14(17)20-16(21)18-9-13-11(3)7-12(4)19-15(13)22-6/h7,10,14H,8-9H2,1-6H3,(H2,18,20,21)/t14-,17+/m1/s1
InChIKeyRZEMMXCTWKUAHE-PBHICJAKSA-N
MW321.42 g/mol
LogP2.46
Rot. Bonds6

About 1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-[(1R,2S)-2-methyl-2-propan-2-yloxycyclopropyl]urea

1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-[(1R,2S)-2-methyl-2-propan-2-yloxycyclopropyl]urea (PubChem CID 136584209) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-[(1R,2S)-2-methyl-2-propan-2-yloxycyclopropyl]urea.

Molecular Properties

Compound Name1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-[(1R,2S)-2-methyl-2-propan-2-yloxycyclopropyl]urea
PubChem CID136584209
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-[(1R,2S)-2-methyl-2-propan-2-yloxycyclopropyl]urea
SMILESCOc1nc(C)cc(C)c1CNC(=O)N[C@@H]1C[C@]1(C)OC(C)C
InChIInChI=1S/C17H27N3O3/c1-10(2)23-17(5)8-14(17)20-16(21)18-9-13-11(3)7-12(4)19-15(13)22-6/h7,10,14H,8-9H2,1-6H3,(H2,18,20,21)/t14-,17+/m1/s1
InChIKeyRZEMMXCTWKUAHE-PBHICJAKSA-N
XLogP2.46
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-[(1R,2S)-2-methyl-2-propan-2-yloxycyclopropyl]urea with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-(dimethylamino)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-methylbutanamide
CID 136580567
N'-cyclopentyl-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]butanediamide
CID 46991930
trans-(1R,2R)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-pyridin-4-ylcyclopropane-1-carboxamide
CID 138008683
N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 146144337
1-[2-(dimethylamino)-3-phenylpropyl]-3-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]urea
CID 71879731
2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide
CID 97120000
N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-phenylpyrazolidine-4-carboxamide
CID 75590828
1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea
CID 72901304
(3S)-7-methoxy-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95175196
2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide
CID 91763538
N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50971649
(1S)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 95189619

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-[(1R,2S)-2-methyl-2-propan-2-yloxycyclopropyl]urea?
The IUPAC name of 1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-[(1R,2S)-2-methyl-2-propan-2-yloxycyclopropyl]urea (CID 136584209) is 1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-[(1R,2S)-2-methyl-2-propan-2-yloxycyclopropyl]urea.
What is the SMILES notation for 1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-[(1R,2S)-2-methyl-2-propan-2-yloxycyclopropyl]urea?
The canonical SMILES for 1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-[(1R,2S)-2-methyl-2-propan-2-yloxycyclopropyl]urea is COc1nc(C)cc(C)c1CNC(=O)N[C@@H]1C[C@]1(C)OC(C)C.
What is the InChIKey of 1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-[(1R,2S)-2-methyl-2-propan-2-yloxycyclopropyl]urea?
The InChIKey is RZEMMXCTWKUAHE-PBHICJAKSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-10(2)23-17(5)8-14(17)20-16(21)18-9-13-11(3)7-12(4)19-15(13)22-6/h7,10,14H,8-9H2,1-6H3,(H2,18,20,21)/t14-,17+/m1/s1.
What are the key properties of 1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-[(1R,2S)-2-methyl-2-propan-2-yloxycyclopropyl]urea?
1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-[(1R,2S)-2-methyl-2-propan-2-yloxycyclopropyl]urea has a molecular weight of 321.42 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-[(1R,2S)-2-methyl-2-propan-2-yloxycyclopropyl]urea is sourced from PubChem (CID 136584209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).