1-(cyclopropylmethyl)-3-phenyl-1-pyridin-3-ylurea

C16H17N3O — CID 30845448

IUPAC1-(cyclopropylmethyl)-3-phenyl-1-pyridin-3-ylurea
SMILESO=C(Nc1ccccc1)N(CC1CC1)c1cccnc1
InChIInChI=1S/C16H17N3O/c20-16(18-14-5-2-1-3-6-14)19(12-13-8-9-13)15-7-4-10-17-11-15/h1-7,10-11,13H,8-9,12H2,(H,18,20)
InChIKeyMIRMDMUPABBIFC-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.53
Rot. Bonds4

About 1-(cyclopropylmethyl)-3-phenyl-1-pyridin-3-ylurea

1-(cyclopropylmethyl)-3-phenyl-1-pyridin-3-ylurea (PubChem CID 30845448) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-phenyl-1-pyridin-3-ylurea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-phenyl-1-pyridin-3-ylurea
PubChem CID30845448
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name1-(cyclopropylmethyl)-3-phenyl-1-pyridin-3-ylurea
SMILESO=C(Nc1ccccc1)N(CC1CC1)c1cccnc1
InChIInChI=1S/C16H17N3O/c20-16(18-14-5-2-1-3-6-14)19(12-13-8-9-13)15-7-4-10-17-11-15/h1-7,10-11,13H,8-9,12H2,(H,18,20)
InChIKeyMIRMDMUPABBIFC-UHFFFAOYSA-N
XLogP3.53
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-1-propyl-3-pyridin-3-ylurea
CID 30845452
2-cyclopropyl-N-pyridin-3-ylacetamide
CID 131129634
N-(cyclopropylmethyl)-2-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 75383418
1-(3-cyanophenyl)-1-(2-cyclohexylethyl)-3-pyridin-3-ylurea
CID 154706334
(1S,2S,3R)-3-amino-2-hydroxy-N-[[(1R,2R)-2-[phenylcarbamoyl(pyridin-3-yl)carbamoyl]cyclopropyl]methyl]cyclohexane-1-carboxamide
CID 154705791
1-phenyl-1-propyl-3-pyridin-4-ylurea
CID 134101956
N,2-bis(cyclopropylmethyl)-4-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 91662527
2-(cyclopropylmethylamino)-N-pyridin-3-ylacetamide;dihydrochloride
CID 119827153
N-(cyclopropylmethyl)-1-(2-methylpropyl)-N-pyridin-3-ylpyrazole-4-carboxamide
CID 75501481
1-phenyl-3-[4-(pyridin-3-ylmethylamino)phenyl]-1-pyrimidin-5-ylurea
CID 68640144
N-(cyclopropylmethyl)-N-pyridin-3-yl-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 154837772
4-N-phenyl-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148792

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-phenyl-1-pyridin-3-ylurea?
The IUPAC name of 1-(cyclopropylmethyl)-3-phenyl-1-pyridin-3-ylurea (CID 30845448) is 1-(cyclopropylmethyl)-3-phenyl-1-pyridin-3-ylurea.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-phenyl-1-pyridin-3-ylurea?
The canonical SMILES for 1-(cyclopropylmethyl)-3-phenyl-1-pyridin-3-ylurea is O=C(Nc1ccccc1)N(CC1CC1)c1cccnc1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-phenyl-1-pyridin-3-ylurea?
The InChIKey is MIRMDMUPABBIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c20-16(18-14-5-2-1-3-6-14)19(12-13-8-9-13)15-7-4-10-17-11-15/h1-7,10-11,13H,8-9,12H2,(H,18,20).
What are the key properties of 1-(cyclopropylmethyl)-3-phenyl-1-pyridin-3-ylurea?
1-(cyclopropylmethyl)-3-phenyl-1-pyridin-3-ylurea has a molecular weight of 267.33 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-phenyl-1-pyridin-3-ylurea is sourced from PubChem (CID 30845448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).