1-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-(2-oxoazepan-3-yl)urea

C17H25N5O3 — CID 51084089

IUPAC1-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-(2-oxoazepan-3-yl)urea
SMILESO=C(NCc1ccc(N2CCOCC2)nc1)NC1CCCCNC1=O
InChIInChI=1S/C17H25N5O3/c23-16-14(3-1-2-6-18-16)21-17(24)20-12-13-4-5-15(19-11-13)22-7-9-25-10-8-22/h4-5,11,14H,1-3,6-10,12H2,(H,18,23)(H2,20,21,24)
InChIKeyMDYBEHFEPPROPB-UHFFFAOYSA-N
MW347.42 g/mol
LogP0.39
Rot. Bonds4

About 1-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-(2-oxoazepan-3-yl)urea

1-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-(2-oxoazepan-3-yl)urea (PubChem CID 51084089) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-(2-oxoazepan-3-yl)urea.

Molecular Properties

Compound Name1-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-(2-oxoazepan-3-yl)urea
PubChem CID51084089
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name1-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-(2-oxoazepan-3-yl)urea
SMILESO=C(NCc1ccc(N2CCOCC2)nc1)NC1CCCCNC1=O
InChIInChI=1S/C17H25N5O3/c23-16-14(3-1-2-6-18-16)21-17(24)20-12-13-4-5-15(19-11-13)22-7-9-25-10-8-22/h4-5,11,14H,1-3,6-10,12H2,(H,18,23)(H2,20,21,24)
InChIKeyMDYBEHFEPPROPB-UHFFFAOYSA-N
XLogP0.39
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-oxoazepan-3-yl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 51084223
4-(cyclohexylcarbamoylamino)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]butanamide
CID 16615005
3-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]azepan-2-one
CID 56797269
1-[(3S)-2-oxoazepan-3-yl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 94058390
1-[(3S)-2-oxoazepan-3-yl]-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea
CID 97078096
N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxane-4-carboxamide
CID 38528657
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119839468
(1R)-2,2-dichloro-1-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 42473931
1-[(2S)-1-methoxypropan-2-yl]-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 34669155
(2R)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidine-2-carboxamide
CID 119846204
(2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 98753721
1-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-3-[(3S)-2-oxopyrrolidin-3-yl]urea
CID 167968899

Frequently Asked Questions

What is the IUPAC name of 1-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-(2-oxoazepan-3-yl)urea?
The IUPAC name of 1-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-(2-oxoazepan-3-yl)urea (CID 51084089) is 1-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-(2-oxoazepan-3-yl)urea.
What is the SMILES notation for 1-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-(2-oxoazepan-3-yl)urea?
The canonical SMILES for 1-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-(2-oxoazepan-3-yl)urea is O=C(NCc1ccc(N2CCOCC2)nc1)NC1CCCCNC1=O.
What is the InChIKey of 1-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-(2-oxoazepan-3-yl)urea?
The InChIKey is MDYBEHFEPPROPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c23-16-14(3-1-2-6-18-16)21-17(24)20-12-13-4-5-15(19-11-13)22-7-9-25-10-8-22/h4-5,11,14H,1-3,6-10,12H2,(H,18,23)(H2,20,21,24).
What are the key properties of 1-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-(2-oxoazepan-3-yl)urea?
1-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-(2-oxoazepan-3-yl)urea has a molecular weight of 347.42 g/mol, XLogP of 0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-(2-oxoazepan-3-yl)urea is sourced from PubChem (CID 51084089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).