1-(2-methoxy-3-pyridinyl)-3-[(3-methyl-4-pyridinyl)methyl]urea

C14H16N4O2 — CID 126792773

IUPAC1-(2-methoxy-3-pyridinyl)-3-[(3-methyl-4-pyridinyl)methyl]urea
SMILESCOc1ncccc1NC(=O)NCc1ccncc1C
InChIInChI=1S/C14H16N4O2/c1-10-8-15-7-5-11(10)9-17-14(19)18-12-4-3-6-16-13(12)20-2/h3-8H,9H2,1-2H3,(H2,17,18,19)
InChIKeyKKTHZTCWQXNGKA-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.12
Rot. Bonds4

About 1-(2-methoxy-3-pyridinyl)-3-[(3-methyl-4-pyridinyl)methyl]urea

1-(2-methoxy-3-pyridinyl)-3-[(3-methyl-4-pyridinyl)methyl]urea (PubChem CID 126792773) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-(2-methoxy-3-pyridinyl)-3-[(3-methyl-4-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-(2-methoxy-3-pyridinyl)-3-[(3-methyl-4-pyridinyl)methyl]urea
PubChem CID126792773
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name1-(2-methoxy-3-pyridinyl)-3-[(3-methyl-4-pyridinyl)methyl]urea
SMILESCOc1ncccc1NC(=O)NCc1ccncc1C
InChIInChI=1S/C14H16N4O2/c1-10-8-15-7-5-11(10)9-17-14(19)18-12-4-3-6-16-13(12)20-2/h3-8H,9H2,1-2H3,(H2,17,18,19)
InChIKeyKKTHZTCWQXNGKA-UHFFFAOYSA-N
XLogP2.12
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxy-3-pyridinyl)-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 47260319
1-(2-methoxy-3-pyridinyl)-3-prop-2-ynylurea
CID 47042553
1-(2-methoxyethyl)-3-(2-methoxy-3-pyridinyl)urea
CID 47223034
1-(2-methoxy-3-pyridinyl)-3-(2-methylpropyl)urea
CID 47042582
2-methoxy-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 110850721
3-chloro-N-(2-methoxy-3-pyridinyl)pyridine-4-carboxamide
CID 66484881
1-[[2-(methoxymethyl)phenyl]methyl]-3-(4-methyl-3-pyridinyl)urea
CID 75514282
1-(2,5-dibromophenyl)-3-[(2-methoxy-3-pyridinyl)methyl]urea
CID 55698371
1-[(2-ethoxy-3-pyridinyl)methyl]-3-pyridin-3-ylurea
CID 47159517
1-[2-(benzenesulfonyl)ethyl]-3-(2-methoxy-3-pyridinyl)urea
CID 51085372
N-[(2-hydroxyphenyl)methyl]-2-methoxypyridine-3-carboxamide
CID 115598782
2-hydroxy-N-(2-methoxy-3-pyridinyl)acetamide
CID 126992524

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3-pyridinyl)-3-[(3-methyl-4-pyridinyl)methyl]urea?
The IUPAC name of 1-(2-methoxy-3-pyridinyl)-3-[(3-methyl-4-pyridinyl)methyl]urea (CID 126792773) is 1-(2-methoxy-3-pyridinyl)-3-[(3-methyl-4-pyridinyl)methyl]urea.
What is the SMILES notation for 1-(2-methoxy-3-pyridinyl)-3-[(3-methyl-4-pyridinyl)methyl]urea?
The canonical SMILES for 1-(2-methoxy-3-pyridinyl)-3-[(3-methyl-4-pyridinyl)methyl]urea is COc1ncccc1NC(=O)NCc1ccncc1C.
What is the InChIKey of 1-(2-methoxy-3-pyridinyl)-3-[(3-methyl-4-pyridinyl)methyl]urea?
The InChIKey is KKTHZTCWQXNGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-10-8-15-7-5-11(10)9-17-14(19)18-12-4-3-6-16-13(12)20-2/h3-8H,9H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-(2-methoxy-3-pyridinyl)-3-[(3-methyl-4-pyridinyl)methyl]urea?
1-(2-methoxy-3-pyridinyl)-3-[(3-methyl-4-pyridinyl)methyl]urea has a molecular weight of 272.31 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3-pyridinyl)-3-[(3-methyl-4-pyridinyl)methyl]urea is sourced from PubChem (CID 126792773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).