1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea

C19H30N4O2 — CID 110028362

IUPAC1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
SMILESCc1ccc(CNC(=O)NC2CCCC2(C)CO)c(N2CCCC2)n1
InChIInChI=1S/C19H30N4O2/c1-14-7-8-15(17(21-14)23-10-3-4-11-23)12-20-18(25)22-16-6-5-9-19(16,2)13-24/h7-8,16,24H,3-6,9-13H2,1-2H3,(H2,20,22,25)
InChIKeyDPBLDYPPHGDXID-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.34
Rot. Bonds5

About 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea

1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea (PubChem CID 110028362) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
PubChem CID110028362
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
SMILESCc1ccc(CNC(=O)NC2CCCC2(C)CO)c(N2CCCC2)n1
InChIInChI=1S/C19H30N4O2/c1-14-7-8-15(17(21-14)23-10-3-4-11-23)12-20-18(25)22-16-6-5-9-19(16,2)13-24/h7-8,16,24H,3-6,9-13H2,1-2H3,(H2,20,22,25)
InChIKeyDPBLDYPPHGDXID-UHFFFAOYSA-N
XLogP2.34
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea?
The IUPAC name of 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea (CID 110028362) is 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea is Cc1ccc(CNC(=O)NC2CCCC2(C)CO)c(N2CCCC2)n1.
What is the InChIKey of 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea?
The InChIKey is DPBLDYPPHGDXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-14-7-8-15(17(21-14)23-10-3-4-11-23)12-20-18(25)22-16-6-5-9-19(16,2)13-24/h7-8,16,24H,3-6,9-13H2,1-2H3,(H2,20,22,25).
What are the key properties of 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea?
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea has a molecular weight of 346.48 g/mol, XLogP of 2.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea is sourced from PubChem (CID 110028362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).