1-ethyl-3-[2-methoxy-4-[6-[[(1S)-1-pyridin-3-ylpropyl]amino]pyrazin-2-yl]phenyl]urea;methane

C23H30N6O2 — CID 159545880

IUPAC1-ethyl-3-[2-methoxy-4-[6-[[(1S)-1-pyridin-3-ylpropyl]amino]pyrazin-2-yl]phenyl]urea;methane
SMILESC.CCNC(=O)Nc1ccc(-c2cncc(N[C@@H](CC)c3cccnc3)n2)cc1OC
InChIInChI=1S/C22H26N6O2.CH4/c1-4-17(16-7-6-10-23-12-16)26-21-14-24-13-19(27-21)15-8-9-18(20(11-15)30-3)28-22(29)25-5-2;/h6-14,17H,4-5H2,1-3H3,(H,26,27)(H2,25,28,29);1H4/t17-;/m0./s1
InChIKeyMEUGQPKZQOFXPM-LMOVPXPDSA-N
MW422.53 g/mol
LogP4.89
Rot. Bonds8

About 1-ethyl-3-[2-methoxy-4-[6-[[(1S)-1-pyridin-3-ylpropyl]amino]pyrazin-2-yl]phenyl]urea;methane

1-ethyl-3-[2-methoxy-4-[6-[[(1S)-1-pyridin-3-ylpropyl]amino]pyrazin-2-yl]phenyl]urea;methane (PubChem CID 159545880) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 1-ethyl-3-[2-methoxy-4-[6-[[(1S)-1-pyridin-3-ylpropyl]amino]pyrazin-2-yl]phenyl]urea;methane.

Molecular Properties

Compound Name1-ethyl-3-[2-methoxy-4-[6-[[(1S)-1-pyridin-3-ylpropyl]amino]pyrazin-2-yl]phenyl]urea;methane
PubChem CID159545880
Molecular FormulaC23H30N6O2
Molecular Weight422.53 g/mol
Exact Mass422.24
IUPAC Name1-ethyl-3-[2-methoxy-4-[6-[[(1S)-1-pyridin-3-ylpropyl]amino]pyrazin-2-yl]phenyl]urea;methane
SMILESC.CCNC(=O)Nc1ccc(-c2cncc(N[C@@H](CC)c3cccnc3)n2)cc1OC
InChIInChI=1S/C22H26N6O2.CH4/c1-4-17(16-7-6-10-23-12-16)26-21-14-24-13-19(27-21)15-8-9-18(20(11-15)30-3)28-22(29)25-5-2;/h6-14,17H,4-5H2,1-3H3,(H,26,27)(H2,25,28,29);1H4/t17-;/m0./s1
InChIKeyMEUGQPKZQOFXPM-LMOVPXPDSA-N
XLogP4.89
TPSA101.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-3-[2-methoxy-4-[6-[[(1S)-1-pyridin-3-ylpropyl]amino]pyrazin-2-yl]phenyl]urea;methane with MolForge

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Related Compounds

1-ethyl-3-[2-ethyl-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]urea;methane
CID 159365500
1-[3-(diethylamino)propyl]-3-[2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]urea
CID 11352655
1-ethyl-3-[2-methoxy-4-[4-methyl-6-[[(1S)-1-pyridin-3-ylbutyl]amino]pyrimidin-2-yl]phenyl]urea;molecular hydrogen
CID 163291094
1-ethyl-3-[2-methyl-4-[6-[1-(4-methyl-3-pyridinyl)propylamino]pyrazin-2-yl]phenyl]urea
CID 70666374
1-ethyl-3-[2-methoxy-4-[5-methyl-4-[[(1R)-1-pyridin-3-ylbutyl]amino]pyrimidin-2-yl]phenyl]urea
CID 122172982
2-methoxy-4-[6-(1-phenylpropylamino)pyrazin-2-yl]phenol
CID 135428154
1-ethyl-3-[2-methoxy-4-[6-[(4R)-4-phenylheptyl]pyrazin-2-yl]phenyl]urea
CID 143056501
methane;2-methoxy-4-[6-[1-(4-pyridin-3-ylphenyl)ethylamino]pyrazin-2-yl]phenol
CID 158200755
1-[4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]pentan-2-one
CID 58496576
2-methoxy-4-[6-[[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]amino]pyrazin-2-yl]phenol
CID 135525328
N-[4-[(1R)-1-[[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]pyridine-3-carboxamide
CID 135464358
N-(5-aminopentyl)-2-methyl-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]benzamide
CID 11316795

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-methoxy-4-[6-[[(1S)-1-pyridin-3-ylpropyl]amino]pyrazin-2-yl]phenyl]urea;methane?
The IUPAC name of 1-ethyl-3-[2-methoxy-4-[6-[[(1S)-1-pyridin-3-ylpropyl]amino]pyrazin-2-yl]phenyl]urea;methane (CID 159545880) is 1-ethyl-3-[2-methoxy-4-[6-[[(1S)-1-pyridin-3-ylpropyl]amino]pyrazin-2-yl]phenyl]urea;methane.
What is the SMILES notation for 1-ethyl-3-[2-methoxy-4-[6-[[(1S)-1-pyridin-3-ylpropyl]amino]pyrazin-2-yl]phenyl]urea;methane?
The canonical SMILES for 1-ethyl-3-[2-methoxy-4-[6-[[(1S)-1-pyridin-3-ylpropyl]amino]pyrazin-2-yl]phenyl]urea;methane is C.CCNC(=O)Nc1ccc(-c2cncc(N[C@@H](CC)c3cccnc3)n2)cc1OC.
What is the InChIKey of 1-ethyl-3-[2-methoxy-4-[6-[[(1S)-1-pyridin-3-ylpropyl]amino]pyrazin-2-yl]phenyl]urea;methane?
The InChIKey is MEUGQPKZQOFXPM-LMOVPXPDSA-N. The full InChI is InChI=1S/C22H26N6O2.CH4/c1-4-17(16-7-6-10-23-12-16)26-21-14-24-13-19(27-21)15-8-9-18(20(11-15)30-3)28-22(29)25-5-2;/h6-14,17H,4-5H2,1-3H3,(H,26,27)(H2,25,28,29);1H4/t17-;/m0./s1.
What are the key properties of 1-ethyl-3-[2-methoxy-4-[6-[[(1S)-1-pyridin-3-ylpropyl]amino]pyrazin-2-yl]phenyl]urea;methane?
1-ethyl-3-[2-methoxy-4-[6-[[(1S)-1-pyridin-3-ylpropyl]amino]pyrazin-2-yl]phenyl]urea;methane has a molecular weight of 422.53 g/mol, XLogP of 4.89, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-methoxy-4-[6-[[(1S)-1-pyridin-3-ylpropyl]amino]pyrazin-2-yl]phenyl]urea;methane is sourced from PubChem (CID 159545880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).