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

C16H25N5O2 — CID 31225371

IUPAC1-cyclopentyl-3-[[(3S)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]urea
SMILESCn1ncc(N2CC[C@@H](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)/t12-/m0/s1
InChIKeyDWLVNCBVNCQSGD-LBPRGKRZSA-N
MW319.41 g/mol
LogP0.85
Rot. Bonds4

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

1-cyclopentyl-3-[[(3S)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]urea (PubChem CID 31225371) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-cyclopentyl-3-[[(3S)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[[(3S)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]urea
PubChem CID31225371
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name1-cyclopentyl-3-[[(3S)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]urea
SMILESCn1ncc(N2CC[C@@H](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)/t12-/m0/s1
InChIKeyDWLVNCBVNCQSGD-LBPRGKRZSA-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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[[(3S)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]urea?
The IUPAC name of 1-cyclopentyl-3-[[(3S)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]urea (CID 31225371) is 1-cyclopentyl-3-[[(3S)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[[(3S)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[[(3S)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]urea is Cn1ncc(N2CC[C@@H](CNC(=O)NC3CCCC3)C2)cc1=O.
What is the InChIKey of 1-cyclopentyl-3-[[(3S)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]urea?
The InChIKey is DWLVNCBVNCQSGD-LBPRGKRZSA-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)/t12-/m0/s1.
What are the key properties of 1-cyclopentyl-3-[[(3S)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]urea?
1-cyclopentyl-3-[[(3S)-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-[[(3S)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]urea is sourced from PubChem (CID 31225371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).