1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-(1H-pyrazol-4-yl)urea

C15H20N6O2 — CID 51084320

IUPAC1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-(1H-pyrazol-4-yl)urea
SMILESCC1CN(c2ccc(CNC(=O)Nc3cn[nH]c3)cn2)CCO1
InChIInChI=1S/C15H20N6O2/c1-11-10-21(4-5-23-11)14-3-2-12(6-16-14)7-17-15(22)20-13-8-18-19-9-13/h2-3,6,8-9,11H,4-5,7,10H2,1H3,(H,18,19)(H2,17,20,22)
InChIKeyUKTHTWUBYCMCLE-UHFFFAOYSA-N
MW316.37 g/mol
LogP1.35
Rot. Bonds4

About 1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-(1H-pyrazol-4-yl)urea

1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-(1H-pyrazol-4-yl)urea (PubChem CID 51084320) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is 1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-(1H-pyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-(1H-pyrazol-4-yl)urea
PubChem CID51084320
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-(1H-pyrazol-4-yl)urea
SMILESCC1CN(c2ccc(CNC(=O)Nc3cn[nH]c3)cn2)CCO1
InChIInChI=1S/C15H20N6O2/c1-11-10-21(4-5-23-11)14-3-2-12(6-16-14)7-17-15(22)20-13-8-18-19-9-13/h2-3,6,8-9,11H,4-5,7,10H2,1H3,(H,18,19)(H2,17,20,22)
InChIKeyUKTHTWUBYCMCLE-UHFFFAOYSA-N
XLogP1.35
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[6-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]-3-pyridin-3-ylurea
CID 94030778
1-(3-chlorophenyl)-3-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]urea
CID 94075682
1-(furan-3-ylmethyl)-3-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]urea
CID 94068034
1-[2-(4-chlorophenyl)ethyl]-3-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]urea
CID 86992830
1-[(2-ethoxy-4-pyridinyl)methyl]-3-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]urea
CID 55746766
6-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 51080809
N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
CID 119846618
2,2,6-trimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide
CID 48712827
(2S)-2-amino-3,3-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]butanamide
CID 119846586
2-methyl-1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
CID 110915666
N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(methylsulfanylmethyl)benzamide
CID 55713870
(2S,4S)-2-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120633132

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-(1H-pyrazol-4-yl)urea?
The IUPAC name of 1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-(1H-pyrazol-4-yl)urea (CID 51084320) is 1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-(1H-pyrazol-4-yl)urea.
What is the SMILES notation for 1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-(1H-pyrazol-4-yl)urea?
The canonical SMILES for 1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-(1H-pyrazol-4-yl)urea is CC1CN(c2ccc(CNC(=O)Nc3cn[nH]c3)cn2)CCO1.
What is the InChIKey of 1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-(1H-pyrazol-4-yl)urea?
The InChIKey is UKTHTWUBYCMCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-11-10-21(4-5-23-11)14-3-2-12(6-16-14)7-17-15(22)20-13-8-18-19-9-13/h2-3,6,8-9,11H,4-5,7,10H2,1H3,(H,18,19)(H2,17,20,22).
What are the key properties of 1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-(1H-pyrazol-4-yl)urea?
1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-(1H-pyrazol-4-yl)urea has a molecular weight of 316.37 g/mol, XLogP of 1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-(1H-pyrazol-4-yl)urea is sourced from PubChem (CID 51084320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).