[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]urea

C11H16N4O — CID 149435675

IUPAC[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]urea
SMILESCN1CCCC1c1ccc(NC(N)=O)nc1
InChIInChI=1S/C11H16N4O/c1-15-6-2-3-9(15)8-4-5-10(13-7-8)14-11(12)16/h4-5,7,9H,2-3,6H2,1H3,(H3,12,13,14,16)
InChIKeyAJKNJTWEOZUYJE-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.34
Rot. Bonds2

About [5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]urea

[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]urea (PubChem CID 149435675) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is [5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]urea.

Molecular Properties

Compound Name[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]urea
PubChem CID149435675
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]urea
SMILESCN1CCCC1c1ccc(NC(N)=O)nc1
InChIInChI=1S/C11H16N4O/c1-15-6-2-3-9(15)8-4-5-10(13-7-8)14-11(12)16/h4-5,7,9H,2-3,6H2,1H3,(H3,12,13,14,16)
InChIKeyAJKNJTWEOZUYJE-UHFFFAOYSA-N
XLogP1.34
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis[5-(1-methylpiperidin-2-yl)-2-pyridinyl]urea
CID 23263071
2-[4-(aminomethyl)cyclohexyl]-N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]acetamide
CID 139915368
N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]pyridine-3-carboxamide
CID 139834352
N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]heptanamide
CID 139915367
1-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]ethanone
CID 66713611
N-butyl-5-(1-methylpyrrolidin-2-yl)pyridin-2-amine
CID 102540283
2-methyl-5-(1-methylpyrrolidin-2-yl)pyridine
CID 5020711
carbamic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174664088
5-(1-methylpyrrolidin-2-yl)-2-nitrosopyridine
CID 142692087
carbonic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 175253696
3-(1-methylpyrrolidin-2-yl)pyridine;oxalic acid
CID 159143425
(2R,4R)-9-(2,4-difluorophenyl)-N-[5-[(2S)-1-methylpyrrolidin-2-yl]-2-pyridinyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
CID 123692026

Frequently Asked Questions

What is the IUPAC name of [5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]urea?
The IUPAC name of [5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]urea (CID 149435675) is [5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]urea.
What is the SMILES notation for [5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]urea?
The canonical SMILES for [5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]urea is CN1CCCC1c1ccc(NC(N)=O)nc1.
What is the InChIKey of [5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]urea?
The InChIKey is AJKNJTWEOZUYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-15-6-2-3-9(15)8-4-5-10(13-7-8)14-11(12)16/h4-5,7,9H,2-3,6H2,1H3,(H3,12,13,14,16).
What are the key properties of [5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]urea?
[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]urea has a molecular weight of 220.28 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]urea is sourced from PubChem (CID 149435675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).