1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(2-ethoxy-3-pyridinyl)urea

C20H27N5O2 — CID 55743790

IUPAC1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(2-ethoxy-3-pyridinyl)urea
SMILESCCOc1ncccc1NC(=O)NCc1ccc(N2CCCCCC2)nc1
InChIInChI=1S/C20H27N5O2/c1-2-27-19-17(8-7-11-21-19)24-20(26)23-15-16-9-10-18(22-14-16)25-12-5-3-4-6-13-25/h7-11,14H,2-6,12-13,15H2,1H3,(H2,23,24,26)
InChIKeyLHLRTEVJFIJDGD-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.58
Rot. Bonds6

About 1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(2-ethoxy-3-pyridinyl)urea

1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(2-ethoxy-3-pyridinyl)urea (PubChem CID 55743790) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(2-ethoxy-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(2-ethoxy-3-pyridinyl)urea
PubChem CID55743790
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(2-ethoxy-3-pyridinyl)urea
SMILESCCOc1ncccc1NC(=O)NCc1ccc(N2CCCCCC2)nc1
InChIInChI=1S/C20H27N5O2/c1-2-27-19-17(8-7-11-21-19)24-20(26)23-15-16-9-10-18(22-14-16)25-12-5-3-4-6-13-25/h7-11,14H,2-6,12-13,15H2,1H3,(H2,23,24,26)
InChIKeyLHLRTEVJFIJDGD-UHFFFAOYSA-N
XLogP3.58
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(2-ethoxy-3-pyridinyl)urea with MolForge

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Related Compounds

1-(2-ethoxy-4-fluorophenyl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 55794563
1-(2-ethoxy-3-pyridinyl)-3-[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]urea
CID 55820179
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(2-chloro-4-methoxyphenyl)urea
CID 86862774
2-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
CID 46598711
1-[(6-piperidin-1-yl-3-pyridinyl)methyl]-3-[[2-(propan-2-yloxymethyl)phenyl]methyl]urea
CID 55747084
1-(2-methoxyphenyl)-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 41430289
1-(3-chloro-2-methylphenyl)-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea
CID 86986581
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 51081435
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methoxyacetamide
CID 71842546
(2R)-2-amino-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide
CID 119846624
2,2-dimethyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]butanamide
CID 71842567
2-phenylmethoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide
CID 55745613

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(2-ethoxy-3-pyridinyl)urea?
The IUPAC name of 1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(2-ethoxy-3-pyridinyl)urea (CID 55743790) is 1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(2-ethoxy-3-pyridinyl)urea.
What is the SMILES notation for 1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(2-ethoxy-3-pyridinyl)urea?
The canonical SMILES for 1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(2-ethoxy-3-pyridinyl)urea is CCOc1ncccc1NC(=O)NCc1ccc(N2CCCCCC2)nc1.
What is the InChIKey of 1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(2-ethoxy-3-pyridinyl)urea?
The InChIKey is LHLRTEVJFIJDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-2-27-19-17(8-7-11-21-19)24-20(26)23-15-16-9-10-18(22-14-16)25-12-5-3-4-6-13-25/h7-11,14H,2-6,12-13,15H2,1H3,(H2,23,24,26).
What are the key properties of 1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(2-ethoxy-3-pyridinyl)urea?
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(2-ethoxy-3-pyridinyl)urea has a molecular weight of 369.47 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(2-ethoxy-3-pyridinyl)urea is sourced from PubChem (CID 55743790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).