1-cyclopentyl-3-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]urea

C16H25N5O2 — CID 45250840

IUPAC1-cyclopentyl-3-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]urea
SMILESCn1ncc(N2CCC(CNC(=O)NC3CCCC3)C2)cc1=O
InChIInChI=1S/C16H25N5O2/c1-20-15(22)8-14(10-18-20)21-7-6-12(11-21)9-17-16(23)19-13-4-2-3-5-13/h8,10,12-13H,2-7,9,11H2,1H3,(H2,17,19,23)
InChIKeyDWLVNCBVNCQSGD-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.85
Rot. Bonds4

About 1-cyclopentyl-3-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]urea

1-cyclopentyl-3-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]urea (PubChem CID 45250840) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-cyclopentyl-3-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]urea
PubChem CID45250840
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name1-cyclopentyl-3-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]urea
SMILESCn1ncc(N2CCC(CNC(=O)NC3CCCC3)C2)cc1=O
InChIInChI=1S/C16H25N5O2/c1-20-15(22)8-14(10-18-20)21-7-6-12(11-21)9-17-16(23)19-13-4-2-3-5-13/h8,10,12-13H,2-7,9,11H2,1H3,(H2,17,19,23)
InChIKeyDWLVNCBVNCQSGD-UHFFFAOYSA-N
XLogP0.85
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-cyclopentyl-3-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]urea 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

2-methyl-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}-3-(1-pyrrolidinyl)propanamide
CID 70759750
N~2~-methyl-N~1~-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-N~2~-4-piperidinylglycinamide
CID 70750771
N-cyclopentyl-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxamide
CID 110196818
(3S)-N-cyclopentyl-1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]pyrrolidine-3-carboxamide
CID 164631857
1-[(3R,4S)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-4-methylpyrrolidin-3-yl]-3-cyclopentylurea
CID 156469163
1-cyclopentyl-3-[(3R)-1-(5-methyl-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]urea
CID 156469164
1-cyclopentyl-3-[1-(5-methyl-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]urea
CID 156534316
1-cyclopentyl-3-[[(3S)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]urea
CID 31225371
1-cyclopentyl-3-[[(3R)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]urea
CID 31225373
N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-2-oxo-2,3-dihydro-1H-imidazole-4-carboxamide
CID 56883066
3-[4-[3-(aminomethyl)-1-pyrrolidinyl]-6-oxo-1(6H)-pyridazinyl]-N-isopropylpropanamide
CID 56892430
N~3~-acetyl-N~1~-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-beta-alaninamide
CID 70711027

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]urea?
The IUPAC name of 1-cyclopentyl-3-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]urea (CID 45250840) is 1-cyclopentyl-3-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]urea is Cn1ncc(N2CCC(CNC(=O)NC3CCCC3)C2)cc1=O.
What is the InChIKey of 1-cyclopentyl-3-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]urea?
The InChIKey is DWLVNCBVNCQSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-20-15(22)8-14(10-18-20)21-7-6-12(11-21)9-17-16(23)19-13-4-2-3-5-13/h8,10,12-13H,2-7,9,11H2,1H3,(H2,17,19,23).
What are the key properties of 1-cyclopentyl-3-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]urea?
1-cyclopentyl-3-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]urea has a molecular weight of 319.41 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]urea is sourced from PubChem (CID 45250840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).