1-[(1-hydroxycycloheptyl)methyl]-3-pyridin-4-ylurea

C14H21N3O2 — CID 111425504

IUPAC1-[(1-hydroxycycloheptyl)methyl]-3-pyridin-4-ylurea
SMILESO=C(NCC1(O)CCCCCC1)Nc1ccncc1
InChIInChI=1S/C14H21N3O2/c18-13(17-12-5-9-15-10-6-12)16-11-14(19)7-3-1-2-4-8-14/h5-6,9-10,19H,1-4,7-8,11H2,(H2,15,16,17,18)
InChIKeyGYNUEYPLCVLPGF-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.29
Rot. Bonds3

About 1-[(1-hydroxycycloheptyl)methyl]-3-pyridin-4-ylurea

1-[(1-hydroxycycloheptyl)methyl]-3-pyridin-4-ylurea (PubChem CID 111425504) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[(1-hydroxycycloheptyl)methyl]-3-pyridin-4-ylurea.

Molecular Properties

Compound Name1-[(1-hydroxycycloheptyl)methyl]-3-pyridin-4-ylurea
PubChem CID111425504
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-[(1-hydroxycycloheptyl)methyl]-3-pyridin-4-ylurea
SMILESO=C(NCC1(O)CCCCCC1)Nc1ccncc1
InChIInChI=1S/C14H21N3O2/c18-13(17-12-5-9-15-10-6-12)16-11-14(19)7-3-1-2-4-8-14/h5-6,9-10,19H,1-4,7-8,11H2,(H2,15,16,17,18)
InChIKeyGYNUEYPLCVLPGF-UHFFFAOYSA-N
XLogP2.29
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-hydroxycyclobutyl)methyl]-3-pyridin-4-ylurea
CID 111112659
N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 64868056
1-(4-acetylphenyl)-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111425519
1-(3-acetylphenyl)-3-[(1-hydroxycyclohexyl)methyl]urea
CID 51104053
1-(4-cyanophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 115619734
1-[6-(dimethylamino)-3-pyridinyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936304
1-[(1-hydroxycyclobutyl)methyl]-3-[4-(1,3-thiazol-2-yl)phenyl]urea
CID 111437554
1-[(1-hydroxycycloheptyl)methyl]-3-[3-(1-methoxyethyl)phenyl]urea
CID 111431597
1-(2,6-difluorophenyl)-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111431036
1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111618143
1-[(pyridin-3-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115436667
3-chloro-N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 66483576

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycycloheptyl)methyl]-3-pyridin-4-ylurea?
The IUPAC name of 1-[(1-hydroxycycloheptyl)methyl]-3-pyridin-4-ylurea (CID 111425504) is 1-[(1-hydroxycycloheptyl)methyl]-3-pyridin-4-ylurea.
What is the SMILES notation for 1-[(1-hydroxycycloheptyl)methyl]-3-pyridin-4-ylurea?
The canonical SMILES for 1-[(1-hydroxycycloheptyl)methyl]-3-pyridin-4-ylurea is O=C(NCC1(O)CCCCCC1)Nc1ccncc1.
What is the InChIKey of 1-[(1-hydroxycycloheptyl)methyl]-3-pyridin-4-ylurea?
The InChIKey is GYNUEYPLCVLPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c18-13(17-12-5-9-15-10-6-12)16-11-14(19)7-3-1-2-4-8-14/h5-6,9-10,19H,1-4,7-8,11H2,(H2,15,16,17,18).
What are the key properties of 1-[(1-hydroxycycloheptyl)methyl]-3-pyridin-4-ylurea?
1-[(1-hydroxycycloheptyl)methyl]-3-pyridin-4-ylurea has a molecular weight of 263.34 g/mol, XLogP of 2.29, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycycloheptyl)methyl]-3-pyridin-4-ylurea is sourced from PubChem (CID 111425504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).