1-[(2R)-3-(azepan-1-yl)-2-hydroxypropyl]-3-(pyridin-2-ylmethyl)urea

C16H26N4O2 — CID 126423883

IUPAC1-[(2R)-3-(azepan-1-yl)-2-hydroxypropyl]-3-(pyridin-2-ylmethyl)urea
SMILESO=C(NCc1ccccn1)NC[C@@H](O)CN1CCCCCC1
InChIInChI=1S/C16H26N4O2/c21-15(13-20-9-5-1-2-6-10-20)12-19-16(22)18-11-14-7-3-4-8-17-14/h3-4,7-8,15,21H,1-2,5-6,9-13H2,(H2,18,19,22)/t15-/m1/s1
InChIKeyATZNAVDCDKXCBX-OAHLLOKOSA-N
MW306.41 g/mol
LogP1.12
Rot. Bonds6

About 1-[(2R)-3-(azepan-1-yl)-2-hydroxypropyl]-3-(pyridin-2-ylmethyl)urea

1-[(2R)-3-(azepan-1-yl)-2-hydroxypropyl]-3-(pyridin-2-ylmethyl)urea (PubChem CID 126423883) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[(2R)-3-(azepan-1-yl)-2-hydroxypropyl]-3-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[(2R)-3-(azepan-1-yl)-2-hydroxypropyl]-3-(pyridin-2-ylmethyl)urea
PubChem CID126423883
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name1-[(2R)-3-(azepan-1-yl)-2-hydroxypropyl]-3-(pyridin-2-ylmethyl)urea
SMILESO=C(NCc1ccccn1)NC[C@@H](O)CN1CCCCCC1
InChIInChI=1S/C16H26N4O2/c21-15(13-20-9-5-1-2-6-10-20)12-19-16(22)18-11-14-7-3-4-8-17-14/h3-4,7-8,15,21H,1-2,5-6,9-13H2,(H2,18,19,22)/t15-/m1/s1
InChIKeyATZNAVDCDKXCBX-OAHLLOKOSA-N
XLogP1.12
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(2R)-3-(azepan-1-yl)-2-hydroxypropyl]-3-(pyridin-2-ylmethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 94029380
1-[(3,5-difluorophenyl)methyl]-3-(2-hydroxy-3-pyrrolidin-1-ylpropyl)urea
CID 119070737
1-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea
CID 94169729
1-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-2-ylmethyl)urea
CID 95178018
2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 95311404
1-[(pyridin-2-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115436694
1-[3-(2-oxoazepan-1-yl)propyl]-3-(pyridin-2-ylmethyl)urea
CID 134061158
2-methyl-N-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]propanamide
CID 47126081
3-[(pyridin-2-ylmethylcarbamoylamino)methyl]pentanoic acid
CID 81073177
1-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-(pyridin-2-ylmethyl)urea
CID 86841958
1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyridin-2-ylurea
CID 51084452
1-amino-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
CID 24708548

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3-(azepan-1-yl)-2-hydroxypropyl]-3-(pyridin-2-ylmethyl)urea?
The IUPAC name of 1-[(2R)-3-(azepan-1-yl)-2-hydroxypropyl]-3-(pyridin-2-ylmethyl)urea (CID 126423883) is 1-[(2R)-3-(azepan-1-yl)-2-hydroxypropyl]-3-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-[(2R)-3-(azepan-1-yl)-2-hydroxypropyl]-3-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-[(2R)-3-(azepan-1-yl)-2-hydroxypropyl]-3-(pyridin-2-ylmethyl)urea is O=C(NCc1ccccn1)NC[C@@H](O)CN1CCCCCC1.
What is the InChIKey of 1-[(2R)-3-(azepan-1-yl)-2-hydroxypropyl]-3-(pyridin-2-ylmethyl)urea?
The InChIKey is ATZNAVDCDKXCBX-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H26N4O2/c21-15(13-20-9-5-1-2-6-10-20)12-19-16(22)18-11-14-7-3-4-8-17-14/h3-4,7-8,15,21H,1-2,5-6,9-13H2,(H2,18,19,22)/t15-/m1/s1.
What are the key properties of 1-[(2R)-3-(azepan-1-yl)-2-hydroxypropyl]-3-(pyridin-2-ylmethyl)urea?
1-[(2R)-3-(azepan-1-yl)-2-hydroxypropyl]-3-(pyridin-2-ylmethyl)urea has a molecular weight of 306.41 g/mol, XLogP of 1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-3-(azepan-1-yl)-2-hydroxypropyl]-3-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 126423883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).