1-[3-(2-oxoazepan-1-yl)propyl]-3-(pyridin-2-ylmethyl)urea

C16H24N4O2 — CID 134061158

IUPAC1-[3-(2-oxoazepan-1-yl)propyl]-3-(pyridin-2-ylmethyl)urea
SMILESO=C(NCCCN1CCCCCC1=O)NCc1ccccn1
InChIInChI=1S/C16H24N4O2/c21-15-8-2-1-5-11-20(15)12-6-10-18-16(22)19-13-14-7-3-4-9-17-14/h3-4,7,9H,1-2,5-6,8,10-13H2,(H2,18,19,22)
InChIKeyUUINVUALSASHLZ-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.67
Rot. Bonds6

About 1-[3-(2-oxoazepan-1-yl)propyl]-3-(pyridin-2-ylmethyl)urea

1-[3-(2-oxoazepan-1-yl)propyl]-3-(pyridin-2-ylmethyl)urea (PubChem CID 134061158) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[3-(2-oxoazepan-1-yl)propyl]-3-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[3-(2-oxoazepan-1-yl)propyl]-3-(pyridin-2-ylmethyl)urea
PubChem CID134061158
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name1-[3-(2-oxoazepan-1-yl)propyl]-3-(pyridin-2-ylmethyl)urea
SMILESO=C(NCCCN1CCCCCC1=O)NCc1ccccn1
InChIInChI=1S/C16H24N4O2/c21-15-8-2-1-5-11-20(15)12-6-10-18-16(22)19-13-14-7-3-4-9-17-14/h3-4,7,9H,1-2,5-6,8,10-13H2,(H2,18,19,22)
InChIKeyUUINVUALSASHLZ-UHFFFAOYSA-N
XLogP1.67
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-oxoazepan-1-yl)propyl]-2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 47044907
1-ethyl-3-[3-(2-oxoazepan-1-yl)propyl]-2-(pyridin-2-ylmethyl)guanidine
CID 110970083
1-(1,3-benzothiazol-2-ylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 47015050
1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 51081529
1-methoxy-3-[3-(2-oxoazepan-1-yl)propyl]urea
CID 78879528
N-[2-(2-oxopiperidin-1-yl)ethyl]pyridine-2-carboxamide
CID 110743641
2-(2-nitrophenyl)-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 78802483
1-[(3-fluorophenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 108898444
2-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111023101
N-[2-oxo-2-[3-(2-oxoazepan-1-yl)propylamino]ethyl]-2-phenylacetamide
CID 78802507
2-[3-(2-oxoazepan-1-yl)propylcarbamoyl]pyridine-4-carboxylic acid
CID 122055052
2-chloro-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 54592450

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-oxoazepan-1-yl)propyl]-3-(pyridin-2-ylmethyl)urea?
The IUPAC name of 1-[3-(2-oxoazepan-1-yl)propyl]-3-(pyridin-2-ylmethyl)urea (CID 134061158) is 1-[3-(2-oxoazepan-1-yl)propyl]-3-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-[3-(2-oxoazepan-1-yl)propyl]-3-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-[3-(2-oxoazepan-1-yl)propyl]-3-(pyridin-2-ylmethyl)urea is O=C(NCCCN1CCCCCC1=O)NCc1ccccn1.
What is the InChIKey of 1-[3-(2-oxoazepan-1-yl)propyl]-3-(pyridin-2-ylmethyl)urea?
The InChIKey is UUINVUALSASHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c21-15-8-2-1-5-11-20(15)12-6-10-18-16(22)19-13-14-7-3-4-9-17-14/h3-4,7,9H,1-2,5-6,8,10-13H2,(H2,18,19,22).
What are the key properties of 1-[3-(2-oxoazepan-1-yl)propyl]-3-(pyridin-2-ylmethyl)urea?
1-[3-(2-oxoazepan-1-yl)propyl]-3-(pyridin-2-ylmethyl)urea has a molecular weight of 304.39 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-oxoazepan-1-yl)propyl]-3-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 134061158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).