1-[(1R,2R)-2-methylcyclopropyl]-3-[(3R)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]urea

C15H20N4O2 — CID 97227779

IUPAC1-[(1R,2R)-2-methylcyclopropyl]-3-[(3R)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]urea
SMILESC[C@@H]1C[C@H]1NC(=O)N[C@@H]1CCN(C(=O)c2cccnc2)C1
InChIInChI=1S/C15H20N4O2/c1-10-7-13(10)18-15(21)17-12-4-6-19(9-12)14(20)11-3-2-5-16-8-11/h2-3,5,8,10,12-13H,4,6-7,9H2,1H3,(H2,17,18,21)/t10-,12-,13-/m1/s1
InChIKeyYPQAHPXHZVTKPW-RAIGVLPGSA-N
MW288.35 g/mol
LogP1.00
Rot. Bonds3

About 1-[(1R,2R)-2-methylcyclopropyl]-3-[(3R)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]urea

1-[(1R,2R)-2-methylcyclopropyl]-3-[(3R)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]urea (PubChem CID 97227779) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[(1R,2R)-2-methylcyclopropyl]-3-[(3R)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-[(1R,2R)-2-methylcyclopropyl]-3-[(3R)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]urea
PubChem CID97227779
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-[(1R,2R)-2-methylcyclopropyl]-3-[(3R)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]urea
SMILESC[C@@H]1C[C@H]1NC(=O)N[C@@H]1CCN(C(=O)c2cccnc2)C1
InChIInChI=1S/C15H20N4O2/c1-10-7-13(10)18-15(21)17-12-4-6-19(9-12)14(20)11-3-2-5-16-8-11/h2-3,5,8,10,12-13H,4,6-7,9H2,1H3,(H2,17,18,21)/t10-,12-,13-/m1/s1
InChIKeyYPQAHPXHZVTKPW-RAIGVLPGSA-N
XLogP1.00
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(1R,2R)-2-methylcyclopropyl]-3-[(3R)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]urea with MolForge

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Related Compounds

pyridin-3-yl-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 53185338
1-tert-butyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea
CID 110821121
1-(2,2-dimethylpropyl)-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea
CID 110821123
2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]propanamide
CID 108563311
1-(pyridine-3-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918253
2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108563315
[(2S,3aS,7aS)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyridin-3-ylmethanone
CID 97385070
N-[1-[4-(2-pyridin-2-ylethenyl)benzoyl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 176846965
[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 95292486
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
[(1R,6R)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]-pyridin-3-ylmethanone
CID 98470590
2,2-diphenyl-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108549584

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-methylcyclopropyl]-3-[(3R)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]urea?
The IUPAC name of 1-[(1R,2R)-2-methylcyclopropyl]-3-[(3R)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]urea (CID 97227779) is 1-[(1R,2R)-2-methylcyclopropyl]-3-[(3R)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]urea.
What is the SMILES notation for 1-[(1R,2R)-2-methylcyclopropyl]-3-[(3R)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]urea?
The canonical SMILES for 1-[(1R,2R)-2-methylcyclopropyl]-3-[(3R)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]urea is C[C@@H]1C[C@H]1NC(=O)N[C@@H]1CCN(C(=O)c2cccnc2)C1.
What is the InChIKey of 1-[(1R,2R)-2-methylcyclopropyl]-3-[(3R)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]urea?
The InChIKey is YPQAHPXHZVTKPW-RAIGVLPGSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10-7-13(10)18-15(21)17-12-4-6-19(9-12)14(20)11-3-2-5-16-8-11/h2-3,5,8,10,12-13H,4,6-7,9H2,1H3,(H2,17,18,21)/t10-,12-,13-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-methylcyclopropyl]-3-[(3R)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]urea?
1-[(1R,2R)-2-methylcyclopropyl]-3-[(3R)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]urea has a molecular weight of 288.35 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-methylcyclopropyl]-3-[(3R)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]urea is sourced from PubChem (CID 97227779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).