3-(6-chloro-2-methyl-3-pyridinyl)-1-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-1-methylurea

C16H19ClN4O2 — CID 125159367

IUPAC3-(6-chloro-2-methyl-3-pyridinyl)-1-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-1-methylurea
SMILESCOC[C@H](c1ccccn1)N(C)C(=O)Nc1ccc(Cl)nc1C
InChIInChI=1S/C16H19ClN4O2/c1-11-12(7-8-15(17)19-11)20-16(22)21(2)14(10-23-3)13-6-4-5-9-18-13/h4-9,14H,10H2,1-3H3,(H,20,22)/t14-/m1/s1
InChIKeyWMJKTWVCIXTWOZ-CQSZACIVSA-N
MW334.81 g/mol
LogP3.29
Rot. Bonds5

About 3-(6-chloro-2-methyl-3-pyridinyl)-1-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-1-methylurea

3-(6-chloro-2-methyl-3-pyridinyl)-1-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-1-methylurea (PubChem CID 125159367) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is 3-(6-chloro-2-methyl-3-pyridinyl)-1-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-1-methylurea.

Molecular Properties

Compound Name3-(6-chloro-2-methyl-3-pyridinyl)-1-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-1-methylurea
PubChem CID125159367
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name3-(6-chloro-2-methyl-3-pyridinyl)-1-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-1-methylurea
SMILESCOC[C@H](c1ccccn1)N(C)C(=O)Nc1ccc(Cl)nc1C
InChIInChI=1S/C16H19ClN4O2/c1-11-12(7-8-15(17)19-11)20-16(22)21(2)14(10-23-3)13-6-4-5-9-18-13/h4-9,14H,10H2,1-3H3,(H,20,22)/t14-/m1/s1
InChIKeyWMJKTWVCIXTWOZ-CQSZACIVSA-N
XLogP3.29
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-(6-chloro-2-methyl-3-pyridinyl)-1-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-1-methylurea with MolForge

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Related Compounds

1-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-1-methyl-3-(2-propylphenyl)urea
CID 97453326
1-(2-methoxy-1-pyridin-2-ylethyl)-1-methyl-3-[2-(piperidin-1-ylmethyl)phenyl]urea
CID 72899411
6-chloro-N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N,2-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 99952767
N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 97146350
4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-N,1-dimethylpyrazole-3-carboxamide
CID 131933604
1-(2-methoxy-1-pyridin-2-ylethyl)-1-methyl-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 118791683
N-(2-methoxy-1-pyridin-2-ylethyl)-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 70760488
3-(5,6-dimethyl-2-pyridinyl)-N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N-methylbenzamide
CID 125439779
3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-1-methylurea
CID 126447147
N-(2-methoxy-1-pyridin-2-ylethyl)-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 74239636
N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methyl-2-phenylpyrimidine-5-carboxamide
CID 95123486
4-(2,5-dimethylphenyl)-N-(2-methoxy-1-pyridin-2-ylethyl)-N-methylbenzamide
CID 119066040

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-2-methyl-3-pyridinyl)-1-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-1-methylurea?
The IUPAC name of 3-(6-chloro-2-methyl-3-pyridinyl)-1-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-1-methylurea (CID 125159367) is 3-(6-chloro-2-methyl-3-pyridinyl)-1-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-1-methylurea.
What is the SMILES notation for 3-(6-chloro-2-methyl-3-pyridinyl)-1-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-1-methylurea?
The canonical SMILES for 3-(6-chloro-2-methyl-3-pyridinyl)-1-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-1-methylurea is COC[C@H](c1ccccn1)N(C)C(=O)Nc1ccc(Cl)nc1C.
What is the InChIKey of 3-(6-chloro-2-methyl-3-pyridinyl)-1-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-1-methylurea?
The InChIKey is WMJKTWVCIXTWOZ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-11-12(7-8-15(17)19-11)20-16(22)21(2)14(10-23-3)13-6-4-5-9-18-13/h4-9,14H,10H2,1-3H3,(H,20,22)/t14-/m1/s1.
What are the key properties of 3-(6-chloro-2-methyl-3-pyridinyl)-1-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-1-methylurea?
3-(6-chloro-2-methyl-3-pyridinyl)-1-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-1-methylurea has a molecular weight of 334.81 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-2-methyl-3-pyridinyl)-1-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-1-methylurea is sourced from PubChem (CID 125159367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).