1-[[(1R,2S)-2-methylcyclopropyl]methyl]-1-propan-2-yl-3-pyridin-3-ylurea

C14H21N3O — CID 95783444

IUPAC1-[[(1R,2S)-2-methylcyclopropyl]methyl]-1-propan-2-yl-3-pyridin-3-ylurea
SMILESCC(C)N(C[C@@H]1C[C@@H]1C)C(=O)Nc1cccnc1
InChIInChI=1S/C14H21N3O/c1-10(2)17(9-12-7-11(12)3)14(18)16-13-5-4-6-15-8-13/h4-6,8,10-12H,7,9H2,1-3H3,(H,16,18)/t11-,12-/m0/s1
InChIKeyXTCZSNUMKVPPMI-RYUDHWBXSA-N
MW247.34 g/mol
LogP2.98
Rot. Bonds4

About 1-[[(1R,2S)-2-methylcyclopropyl]methyl]-1-propan-2-yl-3-pyridin-3-ylurea

1-[[(1R,2S)-2-methylcyclopropyl]methyl]-1-propan-2-yl-3-pyridin-3-ylurea (PubChem CID 95783444) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[[(1R,2S)-2-methylcyclopropyl]methyl]-1-propan-2-yl-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-[[(1R,2S)-2-methylcyclopropyl]methyl]-1-propan-2-yl-3-pyridin-3-ylurea
PubChem CID95783444
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-[[(1R,2S)-2-methylcyclopropyl]methyl]-1-propan-2-yl-3-pyridin-3-ylurea
SMILESCC(C)N(C[C@@H]1C[C@@H]1C)C(=O)Nc1cccnc1
InChIInChI=1S/C14H21N3O/c1-10(2)17(9-12-7-11(12)3)14(18)16-13-5-4-6-15-8-13/h4-6,8,10-12H,7,9H2,1-3H3,(H,16,18)/t11-,12-/m0/s1
InChIKeyXTCZSNUMKVPPMI-RYUDHWBXSA-N
XLogP2.98
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-4-methylphenyl)-1-[[(1S,2R)-2-methylcyclopropyl]methyl]-1-propan-2-ylurea
CID 95776864
trans-(1R,2R)-2-methyl-N-pyridin-3-ylcyclopropane-1-carboxamide
CID 131159605
1-(1-cyclopropylethyl)-1-methyl-3-pyridin-3-ylurea
CID 24657988
1-ethyl-1-hydroxy-3-pyridin-3-ylurea
CID 130385554
2-[tert-butyl(pyridin-3-ylcarbamoyl)amino]acetic acid
CID 79257648
1-[[(1S,2R)-2-methylcyclopropyl]methyl]-1-propan-2-yl-3-prop-2-ynylurea
CID 95782080
3-(3-chlorophenyl)-1-propan-2-yl-1-(pyridin-3-ylmethyl)urea
CID 47065731
(2S)-2-(pyridin-3-ylamino)propanoic acid
CID 159663521
3-methyl-N-pyridin-3-ylpentanamide
CID 142960765
3-(pyridin-3-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63788700
3-[ethyl(pyridin-3-ylcarbamoyl)amino]propanoic acid
CID 61187084
ethyl 2-[[propan-2-yl(pyridine-3-carbonyl)amino]methyl]cyclopropane-1-carboxylate
CID 42796795

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R,2S)-2-methylcyclopropyl]methyl]-1-propan-2-yl-3-pyridin-3-ylurea?
The IUPAC name of 1-[[(1R,2S)-2-methylcyclopropyl]methyl]-1-propan-2-yl-3-pyridin-3-ylurea (CID 95783444) is 1-[[(1R,2S)-2-methylcyclopropyl]methyl]-1-propan-2-yl-3-pyridin-3-ylurea.
What is the SMILES notation for 1-[[(1R,2S)-2-methylcyclopropyl]methyl]-1-propan-2-yl-3-pyridin-3-ylurea?
The canonical SMILES for 1-[[(1R,2S)-2-methylcyclopropyl]methyl]-1-propan-2-yl-3-pyridin-3-ylurea is CC(C)N(C[C@@H]1C[C@@H]1C)C(=O)Nc1cccnc1.
What is the InChIKey of 1-[[(1R,2S)-2-methylcyclopropyl]methyl]-1-propan-2-yl-3-pyridin-3-ylurea?
The InChIKey is XTCZSNUMKVPPMI-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10(2)17(9-12-7-11(12)3)14(18)16-13-5-4-6-15-8-13/h4-6,8,10-12H,7,9H2,1-3H3,(H,16,18)/t11-,12-/m0/s1.
What are the key properties of 1-[[(1R,2S)-2-methylcyclopropyl]methyl]-1-propan-2-yl-3-pyridin-3-ylurea?
1-[[(1R,2S)-2-methylcyclopropyl]methyl]-1-propan-2-yl-3-pyridin-3-ylurea has a molecular weight of 247.34 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R,2S)-2-methylcyclopropyl]methyl]-1-propan-2-yl-3-pyridin-3-ylurea is sourced from PubChem (CID 95783444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).