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

C26H27N7O2 — CID 166071605

IUPAC1-[6-[3-methyl-4-[methyl-[(1-methyl-2-oxo-3-pyridinyl)methyl]amino]phenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea
SMILESCc1ccc(NC(=O)Nc2cncc(-c3ccc(N(C)Cc4cccn(C)c4=O)c(C)c3)n2)cn1
InChIInChI=1S/C26H27N7O2/c1-17-12-19(8-10-23(17)33(4)16-20-6-5-11-32(3)25(20)34)22-14-27-15-24(30-22)31-26(35)29-21-9-7-18(2)28-13-21/h5-15H,16H2,1-4H3,(H2,29,30,31,35)
InChIKeyALBOYMKUJMIRFJ-UHFFFAOYSA-N
MW469.55 g/mol
LogP4.13
Rot. Bonds6

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

1-[6-[3-methyl-4-[methyl-[(1-methyl-2-oxo-3-pyridinyl)methyl]amino]phenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea (PubChem CID 166071605) has the molecular formula C26H27N7O2 and a molecular weight of 469.55 g/mol. Its IUPAC name is 1-[6-[3-methyl-4-[methyl-[(1-methyl-2-oxo-3-pyridinyl)methyl]amino]phenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[6-[3-methyl-4-[methyl-[(1-methyl-2-oxo-3-pyridinyl)methyl]amino]phenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea
PubChem CID166071605
Molecular FormulaC26H27N7O2
Molecular Weight469.55 g/mol
Exact Mass469.22
IUPAC Name1-[6-[3-methyl-4-[methyl-[(1-methyl-2-oxo-3-pyridinyl)methyl]amino]phenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea
SMILESCc1ccc(NC(=O)Nc2cncc(-c3ccc(N(C)Cc4cccn(C)c4=O)c(C)c3)n2)cn1
InChIInChI=1S/C26H27N7O2/c1-17-12-19(8-10-23(17)33(4)16-20-6-5-11-32(3)25(20)34)22-14-27-15-24(30-22)31-26(35)29-21-9-7-18(2)28-13-21/h5-15H,16H2,1-4H3,(H2,29,30,31,35)
InChIKeyALBOYMKUJMIRFJ-UHFFFAOYSA-N
XLogP4.13
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[3-methyl-4-[methyl-[(1-methyl-2-oxo-3-pyridinyl)methyl]amino]phenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea?
The IUPAC name of 1-[6-[3-methyl-4-[methyl-[(1-methyl-2-oxo-3-pyridinyl)methyl]amino]phenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea (CID 166071605) is 1-[6-[3-methyl-4-[methyl-[(1-methyl-2-oxo-3-pyridinyl)methyl]amino]phenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea.
What is the SMILES notation for 1-[6-[3-methyl-4-[methyl-[(1-methyl-2-oxo-3-pyridinyl)methyl]amino]phenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea?
The canonical SMILES for 1-[6-[3-methyl-4-[methyl-[(1-methyl-2-oxo-3-pyridinyl)methyl]amino]phenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea is Cc1ccc(NC(=O)Nc2cncc(-c3ccc(N(C)Cc4cccn(C)c4=O)c(C)c3)n2)cn1.
What is the InChIKey of 1-[6-[3-methyl-4-[methyl-[(1-methyl-2-oxo-3-pyridinyl)methyl]amino]phenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea?
The InChIKey is ALBOYMKUJMIRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O2/c1-17-12-19(8-10-23(17)33(4)16-20-6-5-11-32(3)25(20)34)22-14-27-15-24(30-22)31-26(35)29-21-9-7-18(2)28-13-21/h5-15H,16H2,1-4H3,(H2,29,30,31,35).
What are the key properties of 1-[6-[3-methyl-4-[methyl-[(1-methyl-2-oxo-3-pyridinyl)methyl]amino]phenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea?
1-[6-[3-methyl-4-[methyl-[(1-methyl-2-oxo-3-pyridinyl)methyl]amino]phenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea has a molecular weight of 469.55 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[3-methyl-4-[methyl-[(1-methyl-2-oxo-3-pyridinyl)methyl]amino]phenyl]pyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea is sourced from PubChem (CID 166071605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).