1-[(3R)-2-oxoazepan-3-yl]-3-(3-pyridin-2-yloxyphenyl)urea

C18H20N4O3 — CID 124608069

IUPAC1-[(3R)-2-oxoazepan-3-yl]-3-(3-pyridin-2-yloxyphenyl)urea
SMILESO=C(Nc1cccc(Oc2ccccn2)c1)N[C@@H]1CCCCNC1=O
InChIInChI=1S/C18H20N4O3/c23-17-15(8-1-3-11-20-17)22-18(24)21-13-6-5-7-14(12-13)25-16-9-2-4-10-19-16/h2,4-7,9-10,12,15H,1,3,8,11H2,(H,20,23)(H2,21,22,24)/t15-/m1/s1
InChIKeyFOCQVDJEHSBGFI-OAHLLOKOSA-N
MW340.38 g/mol
LogP2.66
Rot. Bonds4

About 1-[(3R)-2-oxoazepan-3-yl]-3-(3-pyridin-2-yloxyphenyl)urea

1-[(3R)-2-oxoazepan-3-yl]-3-(3-pyridin-2-yloxyphenyl)urea (PubChem CID 124608069) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-[(3R)-2-oxoazepan-3-yl]-3-(3-pyridin-2-yloxyphenyl)urea.

Molecular Properties

Compound Name1-[(3R)-2-oxoazepan-3-yl]-3-(3-pyridin-2-yloxyphenyl)urea
PubChem CID124608069
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name1-[(3R)-2-oxoazepan-3-yl]-3-(3-pyridin-2-yloxyphenyl)urea
SMILESO=C(Nc1cccc(Oc2ccccn2)c1)N[C@@H]1CCCCNC1=O
InChIInChI=1S/C18H20N4O3/c23-17-15(8-1-3-11-20-17)22-18(24)21-13-6-5-7-14(12-13)25-16-9-2-4-10-19-16/h2,4-7,9-10,12,15H,1,3,8,11H2,(H,20,23)(H2,21,22,24)/t15-/m1/s1
InChIKeyFOCQVDJEHSBGFI-OAHLLOKOSA-N
XLogP2.66
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(3R)-2-oxoazepan-3-yl]-3-(3-pyridin-2-yloxyphenyl)urea with MolForge

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Related Compounds

ethyl 3-[(2-oxoazepan-3-yl)carbamoylamino]benzoate
CID 54104528
3-[(3-pyridin-2-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120550074
6-(3-bromophenoxy)-N-(2-oxoazepan-3-yl)pyridine-3-carboxamide
CID 55814280
1-[2-methyl-5-[[(3R)-2-oxoazepan-3-yl]carbamoylamino]phenyl]-3-[(3S)-2-oxoazepan-3-yl]urea
CID 51961629
1-(4-chlorophenyl)-3-(2-oxoazepan-3-yl)urea
CID 2805571
1-(2-methoxy-3-pyridinyl)-3-[(3S)-2-oxoazepan-3-yl]urea
CID 94030553
3-amino-N-(3-pyridin-2-yloxyphenyl)cyclohexane-1-carboxamide
CID 119884838
N-(3-pyridin-2-yloxyphenyl)morpholine-3-carboxamide
CID 119884828
4-methoxy-N-(3-pyridin-2-yloxyphenyl)piperidine-4-carboxamide
CID 119884858
1-[(3S)-2-oxoazepan-3-yl]-3-[3-(pyridin-2-ylamino)propyl]urea
CID 94058400
3-amino-N-(3-pyridin-2-yloxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119884835
2-hydroxy-2-phenyl-N-(3-pyridin-2-yloxyphenyl)acetamide
CID 111540805

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-2-oxoazepan-3-yl]-3-(3-pyridin-2-yloxyphenyl)urea?
The IUPAC name of 1-[(3R)-2-oxoazepan-3-yl]-3-(3-pyridin-2-yloxyphenyl)urea (CID 124608069) is 1-[(3R)-2-oxoazepan-3-yl]-3-(3-pyridin-2-yloxyphenyl)urea.
What is the SMILES notation for 1-[(3R)-2-oxoazepan-3-yl]-3-(3-pyridin-2-yloxyphenyl)urea?
The canonical SMILES for 1-[(3R)-2-oxoazepan-3-yl]-3-(3-pyridin-2-yloxyphenyl)urea is O=C(Nc1cccc(Oc2ccccn2)c1)N[C@@H]1CCCCNC1=O.
What is the InChIKey of 1-[(3R)-2-oxoazepan-3-yl]-3-(3-pyridin-2-yloxyphenyl)urea?
The InChIKey is FOCQVDJEHSBGFI-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H20N4O3/c23-17-15(8-1-3-11-20-17)22-18(24)21-13-6-5-7-14(12-13)25-16-9-2-4-10-19-16/h2,4-7,9-10,12,15H,1,3,8,11H2,(H,20,23)(H2,21,22,24)/t15-/m1/s1.
What are the key properties of 1-[(3R)-2-oxoazepan-3-yl]-3-(3-pyridin-2-yloxyphenyl)urea?
1-[(3R)-2-oxoazepan-3-yl]-3-(3-pyridin-2-yloxyphenyl)urea has a molecular weight of 340.38 g/mol, XLogP of 2.66, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-2-oxoazepan-3-yl]-3-(3-pyridin-2-yloxyphenyl)urea is sourced from PubChem (CID 124608069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).