1-(cyclopropylmethyl)-3-[[6-(diethylamino)-3-pyridinyl]methyl]-1-propylurea

C18H30N4O — CID 87004087

IUPAC1-(cyclopropylmethyl)-3-[[6-(diethylamino)-3-pyridinyl]methyl]-1-propylurea
SMILESCCCN(CC1CC1)C(=O)NCc1ccc(N(CC)CC)nc1
InChIInChI=1S/C18H30N4O/c1-4-11-22(14-15-7-8-15)18(23)20-13-16-9-10-17(19-12-16)21(5-2)6-3/h9-10,12,15H,4-8,11,13-14H2,1-3H3,(H,20,23)
InChIKeyMPHYQPSMJZFZQN-UHFFFAOYSA-N
MW318.47 g/mol
LogP3.26
Rot. Bonds9

About 1-(cyclopropylmethyl)-3-[[6-(diethylamino)-3-pyridinyl]methyl]-1-propylurea

1-(cyclopropylmethyl)-3-[[6-(diethylamino)-3-pyridinyl]methyl]-1-propylurea (PubChem CID 87004087) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-[[6-(diethylamino)-3-pyridinyl]methyl]-1-propylurea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-[[6-(diethylamino)-3-pyridinyl]methyl]-1-propylurea
PubChem CID87004087
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC Name1-(cyclopropylmethyl)-3-[[6-(diethylamino)-3-pyridinyl]methyl]-1-propylurea
SMILESCCCN(CC1CC1)C(=O)NCc1ccc(N(CC)CC)nc1
InChIInChI=1S/C18H30N4O/c1-4-11-22(14-15-7-8-15)18(23)20-13-16-9-10-17(19-12-16)21(5-2)6-3/h9-10,12,15H,4-8,11,13-14H2,1-3H3,(H,20,23)
InChIKeyMPHYQPSMJZFZQN-UHFFFAOYSA-N
XLogP3.26
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(cyclopropylmethyl)-3-[[6-(diethylamino)-3-pyridinyl]methyl]-1-propylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(cyclopropylmethyl)-3-[(4-propoxyphenyl)methyl]-1-propylurea
CID 87004129
5-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N-ethylpyridin-2-amine
CID 63940452
3-[[[cyclopropylmethyl(propyl)carbamoyl]amino]methyl]benzoic acid
CID 61442889
(3R)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 94171902
2-amino-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methylpropanamide
CID 119846340
5-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyridin-2-amine
CID 61445168
N-(cyclobutylmethyl)-5-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine
CID 107399965
2-(4-aminophenyl)-N-[[6-(diethylamino)-3-pyridinyl]methyl]acetamide
CID 119846342
(2S,4S)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120633158
N-[[6-(diethylamino)-3-pyridinyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119846329
N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methyl-3-(methylamino)propanamide
CID 119846374
1-(cyclopropylmethyl)-3-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-propylurea
CID 119070667

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-[[6-(diethylamino)-3-pyridinyl]methyl]-1-propylurea?
The IUPAC name of 1-(cyclopropylmethyl)-3-[[6-(diethylamino)-3-pyridinyl]methyl]-1-propylurea (CID 87004087) is 1-(cyclopropylmethyl)-3-[[6-(diethylamino)-3-pyridinyl]methyl]-1-propylurea.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-[[6-(diethylamino)-3-pyridinyl]methyl]-1-propylurea?
The canonical SMILES for 1-(cyclopropylmethyl)-3-[[6-(diethylamino)-3-pyridinyl]methyl]-1-propylurea is CCCN(CC1CC1)C(=O)NCc1ccc(N(CC)CC)nc1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-[[6-(diethylamino)-3-pyridinyl]methyl]-1-propylurea?
The InChIKey is MPHYQPSMJZFZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-4-11-22(14-15-7-8-15)18(23)20-13-16-9-10-17(19-12-16)21(5-2)6-3/h9-10,12,15H,4-8,11,13-14H2,1-3H3,(H,20,23).
What are the key properties of 1-(cyclopropylmethyl)-3-[[6-(diethylamino)-3-pyridinyl]methyl]-1-propylurea?
1-(cyclopropylmethyl)-3-[[6-(diethylamino)-3-pyridinyl]methyl]-1-propylurea has a molecular weight of 318.47 g/mol, XLogP of 3.26, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-[[6-(diethylamino)-3-pyridinyl]methyl]-1-propylurea is sourced from PubChem (CID 87004087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).