1-(cyclopropylmethyl)-1-propyl-3-(1-pyridin-4-ylethyl)urea

C15H23N3O — CID 86999671

IUPAC1-(cyclopropylmethyl)-1-propyl-3-(1-pyridin-4-ylethyl)urea
SMILESCCCN(CC1CC1)C(=O)NC(C)c1ccncc1
InChIInChI=1S/C15H23N3O/c1-3-10-18(11-13-4-5-13)15(19)17-12(2)14-6-8-16-9-7-14/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,17,19)
InChIKeyMJWMYANABKJBEO-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.97
Rot. Bonds6

About 1-(cyclopropylmethyl)-1-propyl-3-(1-pyridin-4-ylethyl)urea

1-(cyclopropylmethyl)-1-propyl-3-(1-pyridin-4-ylethyl)urea (PubChem CID 86999671) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-1-propyl-3-(1-pyridin-4-ylethyl)urea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-1-propyl-3-(1-pyridin-4-ylethyl)urea
PubChem CID86999671
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-(cyclopropylmethyl)-1-propyl-3-(1-pyridin-4-ylethyl)urea
SMILESCCCN(CC1CC1)C(=O)NC(C)c1ccncc1
InChIInChI=1S/C15H23N3O/c1-3-10-18(11-13-4-5-13)15(19)17-12(2)14-6-8-16-9-7-14/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,17,19)
InChIKeyMJWMYANABKJBEO-UHFFFAOYSA-N
XLogP2.97
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopropylmethyl)-3-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1-propylurea
CID 112831924
1-methyl-1-(4-methylcyclohexyl)-3-(1-pyridin-4-ylethyl)urea
CID 86999651
1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-(1-pyridin-4-ylethyl)urea
CID 75483877
2-[cyclopropylmethyl-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]amino]acetic acid
CID 113364523
3-chloro-N-(cyclopropylmethyl)-N-propylpyridine-4-carboxamide
CID 66482927
N-(cyclopropylmethyl)-4-(ethylamino)-N-propylpyridine-3-carboxamide
CID 81242615
3-[1-(4-chlorophenyl)ethyl]-1-(2-hydroxyethyl)-1-propylurea
CID 110894919
N-(1-pyridin-4-ylethyl)pentanamide
CID 17330746
1-cyclopropyl-3-(1-pyridin-4-ylethyl)urea
CID 115575131
1-(cyclopropylmethyl)-3-(2-ethyl-6-propan-2-ylphenyl)-1-propylurea
CID 3684138
(2S)-4-amino-2-[[cyclopropylmethyl(propyl)carbamoyl]amino]-4-oxobutanoic acid
CID 63717362
1-(cyclopropylmethyl)-3-naphthalen-2-yl-1-propylurea
CID 3853598

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-1-propyl-3-(1-pyridin-4-ylethyl)urea?
The IUPAC name of 1-(cyclopropylmethyl)-1-propyl-3-(1-pyridin-4-ylethyl)urea (CID 86999671) is 1-(cyclopropylmethyl)-1-propyl-3-(1-pyridin-4-ylethyl)urea.
What is the SMILES notation for 1-(cyclopropylmethyl)-1-propyl-3-(1-pyridin-4-ylethyl)urea?
The canonical SMILES for 1-(cyclopropylmethyl)-1-propyl-3-(1-pyridin-4-ylethyl)urea is CCCN(CC1CC1)C(=O)NC(C)c1ccncc1.
What is the InChIKey of 1-(cyclopropylmethyl)-1-propyl-3-(1-pyridin-4-ylethyl)urea?
The InChIKey is MJWMYANABKJBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-10-18(11-13-4-5-13)15(19)17-12(2)14-6-8-16-9-7-14/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,17,19).
What are the key properties of 1-(cyclopropylmethyl)-1-propyl-3-(1-pyridin-4-ylethyl)urea?
1-(cyclopropylmethyl)-1-propyl-3-(1-pyridin-4-ylethyl)urea has a molecular weight of 261.37 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-1-propyl-3-(1-pyridin-4-ylethyl)urea is sourced from PubChem (CID 86999671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).