1-(6-methyl-3-pyridinyl)-3-[6-[3-methyl-4-(pyrrolidin-2-ylmethoxy)phenyl]pyrazin-2-yl]urea

C23H26N6O2 — CID 146346911

IUPAC1-(6-methyl-3-pyridinyl)-3-[6-[3-methyl-4-(pyrrolidin-2-ylmethoxy)phenyl]pyrazin-2-yl]urea
SMILESCc1ccc(NC(=O)Nc2cncc(-c3ccc(OCC4CCCN4)c(C)c3)n2)cn1
InChIInChI=1S/C23H26N6O2/c1-15-10-17(6-8-21(15)31-14-19-4-3-9-25-19)20-12-24-13-22(28-20)29-23(30)27-18-7-5-16(2)26-11-18/h5-8,10-13,19,25H,3-4,9,14H2,1-2H3,(H2,27,28,29,30)
InChIKeyNEYPNUYJMFXZAI-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.93
Rot. Bonds6

About 1-(6-methyl-3-pyridinyl)-3-[6-[3-methyl-4-(pyrrolidin-2-ylmethoxy)phenyl]pyrazin-2-yl]urea

1-(6-methyl-3-pyridinyl)-3-[6-[3-methyl-4-(pyrrolidin-2-ylmethoxy)phenyl]pyrazin-2-yl]urea (PubChem CID 146346911) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 1-(6-methyl-3-pyridinyl)-3-[6-[3-methyl-4-(pyrrolidin-2-ylmethoxy)phenyl]pyrazin-2-yl]urea.

Molecular Properties

Compound Name1-(6-methyl-3-pyridinyl)-3-[6-[3-methyl-4-(pyrrolidin-2-ylmethoxy)phenyl]pyrazin-2-yl]urea
PubChem CID146346911
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name1-(6-methyl-3-pyridinyl)-3-[6-[3-methyl-4-(pyrrolidin-2-ylmethoxy)phenyl]pyrazin-2-yl]urea
SMILESCc1ccc(NC(=O)Nc2cncc(-c3ccc(OCC4CCCN4)c(C)c3)n2)cn1
InChIInChI=1S/C23H26N6O2/c1-15-10-17(6-8-21(15)31-14-19-4-3-9-25-19)20-12-24-13-22(28-20)29-23(30)27-18-7-5-16(2)26-11-18/h5-8,10-13,19,25H,3-4,9,14H2,1-2H3,(H2,27,28,29,30)
InChIKeyNEYPNUYJMFXZAI-UHFFFAOYSA-N
XLogP3.93
TPSA101.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2,2-dimethyl-3-[2-methyl-4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenoxy]propanamide
CID 146376054
(2R)-2-methyl-2-[[2-methyl-4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenoxy]methyl]pyrrolidine-1-carboxylic acid
CID 146346951
1-[6-[3-methyl-4-[(5-oxopyrrolidin-3-yl)methoxy]phenyl]pyrazin-2-yl]-3-[(3S)-piperidin-3-yl]urea
CID 146346871
1-[6-(4-methoxy-3-methylphenyl)pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea;N-(2-methylprop-1-enyl)methanimine;pyrrolidin-2-one
CID 153401178
1-[6-[3-methoxy-4-[(1-methyl-5-oxopyrrolidin-3-yl)methoxy]phenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea
CID 146376062
1-[6-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea
CID 146347004
1-[6-[4-(1-acetylpiperidin-2-yl)phenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea
CID 146346895
tert-butyl 2-[4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenyl]pyrrolidine-1-carboxylate
CID 146346866
1-[6-[1-(2-hydroxypropyl)indazol-5-yl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea
CID 166071597
1-[6-[1-(2-cyano-2-methylpropyl)-2,3-dihydroindol-5-yl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea
CID 166071604
1-[6-(3-chloro-4-methoxyphenyl)pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea;N-(2-methylprop-1-enyl)methanimine;1-methylpyrrolidin-2-one
CID 153401155
1,3-bis(6-methyl-3-pyridinyl)urea
CID 102308841

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-3-pyridinyl)-3-[6-[3-methyl-4-(pyrrolidin-2-ylmethoxy)phenyl]pyrazin-2-yl]urea?
The IUPAC name of 1-(6-methyl-3-pyridinyl)-3-[6-[3-methyl-4-(pyrrolidin-2-ylmethoxy)phenyl]pyrazin-2-yl]urea (CID 146346911) is 1-(6-methyl-3-pyridinyl)-3-[6-[3-methyl-4-(pyrrolidin-2-ylmethoxy)phenyl]pyrazin-2-yl]urea.
What is the SMILES notation for 1-(6-methyl-3-pyridinyl)-3-[6-[3-methyl-4-(pyrrolidin-2-ylmethoxy)phenyl]pyrazin-2-yl]urea?
The canonical SMILES for 1-(6-methyl-3-pyridinyl)-3-[6-[3-methyl-4-(pyrrolidin-2-ylmethoxy)phenyl]pyrazin-2-yl]urea is Cc1ccc(NC(=O)Nc2cncc(-c3ccc(OCC4CCCN4)c(C)c3)n2)cn1.
What is the InChIKey of 1-(6-methyl-3-pyridinyl)-3-[6-[3-methyl-4-(pyrrolidin-2-ylmethoxy)phenyl]pyrazin-2-yl]urea?
The InChIKey is NEYPNUYJMFXZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-15-10-17(6-8-21(15)31-14-19-4-3-9-25-19)20-12-24-13-22(28-20)29-23(30)27-18-7-5-16(2)26-11-18/h5-8,10-13,19,25H,3-4,9,14H2,1-2H3,(H2,27,28,29,30).
What are the key properties of 1-(6-methyl-3-pyridinyl)-3-[6-[3-methyl-4-(pyrrolidin-2-ylmethoxy)phenyl]pyrazin-2-yl]urea?
1-(6-methyl-3-pyridinyl)-3-[6-[3-methyl-4-(pyrrolidin-2-ylmethoxy)phenyl]pyrazin-2-yl]urea has a molecular weight of 418.50 g/mol, XLogP of 3.93, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-3-pyridinyl)-3-[6-[3-methyl-4-(pyrrolidin-2-ylmethoxy)phenyl]pyrazin-2-yl]urea is sourced from PubChem (CID 146346911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).