1-(cyclopentylmethyl)-3-pyridin-3-ylurea

C12H17N3O — CID 47166711

IUPAC1-(cyclopentylmethyl)-3-pyridin-3-ylurea
SMILESO=C(NCC1CCCC1)Nc1cccnc1
InChIInChI=1S/C12H17N3O/c16-12(14-8-10-4-1-2-5-10)15-11-6-3-7-13-9-11/h3,6-7,9-10H,1-2,4-5,8H2,(H2,14,15,16)
InChIKeySDDYISWTUWKMQB-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.39
Rot. Bonds3

About 1-(cyclopentylmethyl)-3-pyridin-3-ylurea

1-(cyclopentylmethyl)-3-pyridin-3-ylurea (PubChem CID 47166711) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-3-pyridin-3-ylurea
PubChem CID47166711
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-(cyclopentylmethyl)-3-pyridin-3-ylurea
SMILESO=C(NCC1CCCC1)Nc1cccnc1
InChIInChI=1S/C12H17N3O/c16-12(14-8-10-4-1-2-5-10)15-11-6-3-7-13-9-11/h3,6-7,9-10H,1-2,4-5,8H2,(H2,14,15,16)
InChIKeySDDYISWTUWKMQB-UHFFFAOYSA-N
XLogP2.39
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclohexylmethyl)pyridin-3-amine;dihydrochloride
CID 76854141
1-cyclobutyl-3-pyridin-3-ylurea
CID 115617592
2-(cyclopropylmethylamino)-N-pyridin-3-ylacetamide;dihydrochloride
CID 119827153
1-(3-chlorophenyl)-3-(cyclopentylmethyl)urea
CID 38887276
2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-pyridin-3-ylbenzamide
CID 51162122
2-cyclopentyl-N-pyridin-3-ylethanethioamide
CID 142471330
2-cyclopropyl-N-pyridin-3-ylacetamide
CID 131129634
1-(cyclohexylmethyl)-3-(4-hydroxyphenyl)urea
CID 108902801
1-[(pyridin-3-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115436667
1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-pyridin-3-ylurea
CID 40954267
1-(4-cyclohexylphenyl)-3-[2-(pyridin-3-ylamino)ethyl]urea
CID 72901107
3-(pyridin-3-ylcarbamoylamino)propanoic acid
CID 61187643

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-3-pyridin-3-ylurea?
The IUPAC name of 1-(cyclopentylmethyl)-3-pyridin-3-ylurea (CID 47166711) is 1-(cyclopentylmethyl)-3-pyridin-3-ylurea.
What is the SMILES notation for 1-(cyclopentylmethyl)-3-pyridin-3-ylurea?
The canonical SMILES for 1-(cyclopentylmethyl)-3-pyridin-3-ylurea is O=C(NCC1CCCC1)Nc1cccnc1.
What is the InChIKey of 1-(cyclopentylmethyl)-3-pyridin-3-ylurea?
The InChIKey is SDDYISWTUWKMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c16-12(14-8-10-4-1-2-5-10)15-11-6-3-7-13-9-11/h3,6-7,9-10H,1-2,4-5,8H2,(H2,14,15,16).
What are the key properties of 1-(cyclopentylmethyl)-3-pyridin-3-ylurea?
1-(cyclopentylmethyl)-3-pyridin-3-ylurea has a molecular weight of 219.29 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-3-pyridin-3-ylurea is sourced from PubChem (CID 47166711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).