1-(1-cyclopropylethyl)-1-methyl-3-pyridin-3-ylurea

C12H17N3O — CID 24657988

IUPAC1-(1-cyclopropylethyl)-1-methyl-3-pyridin-3-ylurea
SMILESCC(C1CC1)N(C)C(=O)Nc1cccnc1
InChIInChI=1S/C12H17N3O/c1-9(10-5-6-10)15(2)12(16)14-11-4-3-7-13-8-11/h3-4,7-10H,5-6H2,1-2H3,(H,14,16)
InChIKeyJWBCABODWJMQBB-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.34
Rot. Bonds3

About 1-(1-cyclopropylethyl)-1-methyl-3-pyridin-3-ylurea

1-(1-cyclopropylethyl)-1-methyl-3-pyridin-3-ylurea (PubChem CID 24657988) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-(1-cyclopropylethyl)-1-methyl-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-(1-cyclopropylethyl)-1-methyl-3-pyridin-3-ylurea
PubChem CID24657988
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-(1-cyclopropylethyl)-1-methyl-3-pyridin-3-ylurea
SMILESCC(C1CC1)N(C)C(=O)Nc1cccnc1
InChIInChI=1S/C12H17N3O/c1-9(10-5-6-10)15(2)12(16)14-11-4-3-7-13-8-11/h3-4,7-10H,5-6H2,1-2H3,(H,14,16)
InChIKeyJWBCABODWJMQBB-UHFFFAOYSA-N
XLogP2.34
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-pyridinyl]acetic acid
CID 107340505
1-[[(1R,2S)-2-methylcyclopropyl]methyl]-1-propan-2-yl-3-pyridin-3-ylurea
CID 95783444
1-ethyl-1-hydroxy-3-pyridin-3-ylurea
CID 130385554
2-methyl-2-[methyl(pyridin-3-ylcarbamoyl)amino]propanoic acid
CID 62820189
5-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-fluorobenzoic acid
CID 61201200
1-(dimethylamino)-3-pyridin-3-ylurea
CID 123360253
(2S)-2-(pyridin-3-ylamino)propanoic acid
CID 159663521
3-[methyl(thian-4-yl)amino]-N-pyridin-3-ylpropanamide
CID 91840850
2-(dimethylamino)-4-oxo-4-(pyridin-3-ylamino)butanoic acid
CID 44993995
2-[tert-butyl(pyridin-3-ylcarbamoyl)amino]acetic acid
CID 79257648
2-cyclopropyl-N-pyridin-3-ylacetamide
CID 131129634
trans-(1R,2R)-2-methyl-N-pyridin-3-ylcyclopropane-1-carboxamide
CID 131159605

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethyl)-1-methyl-3-pyridin-3-ylurea?
The IUPAC name of 1-(1-cyclopropylethyl)-1-methyl-3-pyridin-3-ylurea (CID 24657988) is 1-(1-cyclopropylethyl)-1-methyl-3-pyridin-3-ylurea.
What is the SMILES notation for 1-(1-cyclopropylethyl)-1-methyl-3-pyridin-3-ylurea?
The canonical SMILES for 1-(1-cyclopropylethyl)-1-methyl-3-pyridin-3-ylurea is CC(C1CC1)N(C)C(=O)Nc1cccnc1.
What is the InChIKey of 1-(1-cyclopropylethyl)-1-methyl-3-pyridin-3-ylurea?
The InChIKey is JWBCABODWJMQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9(10-5-6-10)15(2)12(16)14-11-4-3-7-13-8-11/h3-4,7-10H,5-6H2,1-2H3,(H,14,16).
What are the key properties of 1-(1-cyclopropylethyl)-1-methyl-3-pyridin-3-ylurea?
1-(1-cyclopropylethyl)-1-methyl-3-pyridin-3-ylurea has a molecular weight of 219.29 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethyl)-1-methyl-3-pyridin-3-ylurea is sourced from PubChem (CID 24657988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).