1-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3-pyridin-3-ylurea

C12H17N3O4 — CID 75529486

IUPAC1-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3-pyridin-3-ylurea
SMILESO=C(Nc1cccnc1)N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C12H17N3O4/c16-6-7-4-9(11(18)10(7)17)15-12(19)14-8-2-1-3-13-5-8/h1-3,5,7,9-11,16-18H,4,6H2,(H2,14,15,19)/t7-,9-,10-,11+/m1/s1
InChIKeyGAYUAQXHEINBCA-WKJUBOCMSA-N
MW267.29 g/mol
LogP-0.69
Rot. Bonds3

About 1-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3-pyridin-3-ylurea

1-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3-pyridin-3-ylurea (PubChem CID 75529486) has the molecular formula C12H17N3O4 and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3-pyridin-3-ylurea
PubChem CID75529486
Molecular FormulaC12H17N3O4
Molecular Weight267.29 g/mol
Exact Mass267.12
IUPAC Name1-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3-pyridin-3-ylurea
SMILESO=C(Nc1cccnc1)N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C12H17N3O4/c16-6-7-4-9(11(18)10(7)17)15-12(19)14-8-2-1-3-13-5-8/h1-3,5,7,9-11,16-18H,4,6H2,(H2,14,15,19)/t7-,9-,10-,11+/m1/s1
InChIKeyGAYUAQXHEINBCA-WKJUBOCMSA-N
XLogP-0.69
TPSA114.71 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-0.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 1-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3-pyridin-3-ylurea with MolForge

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Related Compounds

1-[2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]-3-pyridin-3-ylurea
CID 162819665
1-cyclobutyl-3-pyridin-3-ylurea
CID 115617592
1-(2-ethylsulfanylcyclopentyl)-3-pyridin-3-ylurea
CID 71863043
2-cyclopropyl-N-pyridin-3-ylacetamide
CID 131129634
1-(1-ethylpiperidin-4-yl)-3-pyridin-3-ylurea
CID 47014459
1-(cyclopentylmethyl)-3-pyridin-3-ylurea
CID 47166711
4-(cyclopropylcarbamoylamino)-N-pyridin-3-ylbenzamide
CID 39890660
1-(2-benzylcyclopropyl)-3-(6-pyridin-3-yloxy-3-pyridinyl)urea
CID 167894017
1-pyridin-3-yl-3-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]urea
CID 23996528
1-methyl-2-(pyridin-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 82762881
1-[(3R)-1-methylpyrrolidin-3-yl]-3-pyridin-3-ylurea
CID 59781432
trans-(1R,2R)-2-methyl-N-pyridin-3-ylcyclopropane-1-carboxamide
CID 131159605

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3-pyridin-3-ylurea?
The IUPAC name of 1-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3-pyridin-3-ylurea (CID 75529486) is 1-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3-pyridin-3-ylurea.
What is the SMILES notation for 1-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3-pyridin-3-ylurea?
The canonical SMILES for 1-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3-pyridin-3-ylurea is O=C(Nc1cccnc1)N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O.
What is the InChIKey of 1-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3-pyridin-3-ylurea?
The InChIKey is GAYUAQXHEINBCA-WKJUBOCMSA-N. The full InChI is InChI=1S/C12H17N3O4/c16-6-7-4-9(11(18)10(7)17)15-12(19)14-8-2-1-3-13-5-8/h1-3,5,7,9-11,16-18H,4,6H2,(H2,14,15,19)/t7-,9-,10-,11+/m1/s1.
What are the key properties of 1-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3-pyridin-3-ylurea?
1-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3-pyridin-3-ylurea has a molecular weight of 267.29 g/mol, XLogP of -0.69, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3-pyridin-3-ylurea is sourced from PubChem (CID 75529486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).