3-(2-ethoxy-3-pyridinyl)-1-methyl-1-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea

C19H22N6O2 — CID 51953464

IUPAC3-(2-ethoxy-3-pyridinyl)-1-methyl-1-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea
SMILESCCOc1ncccc1NC(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C19H22N6O2/c1-4-27-18-17(6-5-11-21-18)23-19(26)24(3)14(2)15-7-9-16(10-8-15)25-13-20-12-22-25/h5-14H,4H2,1-3H3,(H,23,26)/t14-/m1/s1
InChIKeyXXRTYNLLUHBUNA-CQSZACIVSA-N
MW366.43 g/mol
LogP3.29
Rot. Bonds6

About 3-(2-ethoxy-3-pyridinyl)-1-methyl-1-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea

3-(2-ethoxy-3-pyridinyl)-1-methyl-1-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea (PubChem CID 51953464) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 3-(2-ethoxy-3-pyridinyl)-1-methyl-1-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea.

Molecular Properties

Compound Name3-(2-ethoxy-3-pyridinyl)-1-methyl-1-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea
PubChem CID51953464
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name3-(2-ethoxy-3-pyridinyl)-1-methyl-1-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea
SMILESCCOc1ncccc1NC(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C19H22N6O2/c1-4-27-18-17(6-5-11-21-18)23-19(26)24(3)14(2)15-7-9-16(10-8-15)25-13-20-12-22-25/h5-14H,4H2,1-3H3,(H,23,26)/t14-/m1/s1
InChIKeyXXRTYNLLUHBUNA-CQSZACIVSA-N
XLogP3.29
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(2-ethoxy-3-pyridinyl)-1-methyl-1-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea with MolForge

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Related Compounds

3-(2-ethoxy-3-pyridinyl)-1-methyl-1-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea
CID 51953463
1-methyl-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-1-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea
CID 47050348
4-(2-ethoxyphenoxy)-N-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide
CID 9470954
3-[(2S)-1-methoxypropan-2-yl]-1-methyl-1-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea
CID 94173481
3-[[dimethyl(phenyl)silyl]methyl]-1-methyl-1-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea
CID 124852726
2-(2-methoxyphenoxy)-N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 9470980
N-methyl-2-(4-propan-2-ylphenoxy)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 9471354
2-[acetyl(methyl)amino]-N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 94092125
3-[1-(2-fluorophenyl)ethyl]-1-methyl-1-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea
CID 47021673
N-methyl-2-(4-propoxyphenoxy)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 51201711
N-methyl-3-pyridin-3-yl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 40717649
2-(2-chlorophenyl)-N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 9471057

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-3-pyridinyl)-1-methyl-1-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea?
The IUPAC name of 3-(2-ethoxy-3-pyridinyl)-1-methyl-1-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea (CID 51953464) is 3-(2-ethoxy-3-pyridinyl)-1-methyl-1-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea.
What is the SMILES notation for 3-(2-ethoxy-3-pyridinyl)-1-methyl-1-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea?
The canonical SMILES for 3-(2-ethoxy-3-pyridinyl)-1-methyl-1-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea is CCOc1ncccc1NC(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1.
What is the InChIKey of 3-(2-ethoxy-3-pyridinyl)-1-methyl-1-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea?
The InChIKey is XXRTYNLLUHBUNA-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-4-27-18-17(6-5-11-21-18)23-19(26)24(3)14(2)15-7-9-16(10-8-15)25-13-20-12-22-25/h5-14H,4H2,1-3H3,(H,23,26)/t14-/m1/s1.
What are the key properties of 3-(2-ethoxy-3-pyridinyl)-1-methyl-1-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea?
3-(2-ethoxy-3-pyridinyl)-1-methyl-1-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea has a molecular weight of 366.43 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-3-pyridinyl)-1-methyl-1-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea is sourced from PubChem (CID 51953464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).