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

C24H26N6O2 — CID 146346895

IUPAC1-[6-[4-(1-acetylpiperidin-2-yl)phenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea
SMILESCC(=O)N1CCCCC1c1ccc(-c2cncc(NC(=O)Nc3ccc(C)nc3)n2)cc1
InChIInChI=1S/C24H26N6O2/c1-16-6-11-20(13-26-16)27-24(32)29-23-15-25-14-21(28-23)18-7-9-19(10-8-18)22-5-3-4-12-30(22)17(2)31/h6-11,13-15,22H,3-5,12H2,1-2H3,(H2,27,28,29,32)
InChIKeyOIEAUYFHZGTOHG-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.56
Rot. Bonds4

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

1-[6-[4-(1-acetylpiperidin-2-yl)phenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea (PubChem CID 146346895) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 1-[6-[4-(1-acetylpiperidin-2-yl)phenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[6-[4-(1-acetylpiperidin-2-yl)phenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea
PubChem CID146346895
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name1-[6-[4-(1-acetylpiperidin-2-yl)phenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea
SMILESCC(=O)N1CCCCC1c1ccc(-c2cncc(NC(=O)Nc3ccc(C)nc3)n2)cc1
InChIInChI=1S/C24H26N6O2/c1-16-6-11-20(13-26-16)27-24(32)29-23-15-25-14-21(28-23)18-7-9-19(10-8-18)22-5-3-4-12-30(22)17(2)31/h6-11,13-15,22H,3-5,12H2,1-2H3,(H2,27,28,29,32)
InChIKeyOIEAUYFHZGTOHG-UHFFFAOYSA-N
XLogP4.56
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-[4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenyl]pyrrolidine-1-carboxylate
CID 146346866
tert-butyl 3-[4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenyl]morpholine-4-carboxylate
CID 146346979
1-(6-methyl-3-pyridinyl)-3-[6-[3-methyl-4-(pyrrolidin-2-ylmethoxy)phenyl]pyrazin-2-yl]urea
CID 146346911
1-[2-(4-methylphenyl)piperidin-1-yl]ethanone
CID 127352065
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
(2R)-2-methyl-2-[[2-methyl-4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenoxy]methyl]pyrrolidine-1-carboxylic acid
CID 146346951
2,2-dimethyl-3-[2-methyl-4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenoxy]propanamide
CID 146376054
1-[(2R)-2-(6-pyridin-3-ylpyrazin-2-yl)piperidin-1-yl]ethanone
CID 95826518
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-[1-(2-hydroxypropyl)indazol-5-yl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea
CID 166071597
1,3-bis(6-methyl-3-pyridinyl)urea
CID 102308841

Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-(1-acetylpiperidin-2-yl)phenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea?
The IUPAC name of 1-[6-[4-(1-acetylpiperidin-2-yl)phenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea (CID 146346895) is 1-[6-[4-(1-acetylpiperidin-2-yl)phenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea.
What is the SMILES notation for 1-[6-[4-(1-acetylpiperidin-2-yl)phenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea?
The canonical SMILES for 1-[6-[4-(1-acetylpiperidin-2-yl)phenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea is CC(=O)N1CCCCC1c1ccc(-c2cncc(NC(=O)Nc3ccc(C)nc3)n2)cc1.
What is the InChIKey of 1-[6-[4-(1-acetylpiperidin-2-yl)phenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea?
The InChIKey is OIEAUYFHZGTOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-16-6-11-20(13-26-16)27-24(32)29-23-15-25-14-21(28-23)18-7-9-19(10-8-18)22-5-3-4-12-30(22)17(2)31/h6-11,13-15,22H,3-5,12H2,1-2H3,(H2,27,28,29,32).
What are the key properties of 1-[6-[4-(1-acetylpiperidin-2-yl)phenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea?
1-[6-[4-(1-acetylpiperidin-2-yl)phenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea has a molecular weight of 430.51 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-(1-acetylpiperidin-2-yl)phenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea is sourced from PubChem (CID 146346895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).