3-amino-6-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide

C25H27N5O2 — CID 59472077

IUPAC3-amino-6-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide
SMILESCC1CCC(NC(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4ccccc4)n3)cc2)CC1
InChIInChI=1S/C25H27N5O2/c1-16-7-13-20(14-8-16)28-24(31)18-11-9-17(10-12-18)21-15-27-23(26)22(30-21)25(32)29-19-5-3-2-4-6-19/h2-6,9-12,15-16,20H,7-8,13-14H2,1H3,(H2,26,27)(H,28,31)(H,29,32)
InChIKeyIWJTYTFKOACGBL-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.29
Rot. Bonds5

About 3-amino-6-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide

3-amino-6-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide (PubChem CID 59472077) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is 3-amino-6-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide
PubChem CID59472077
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC Name3-amino-6-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide
SMILESCC1CCC(NC(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4ccccc4)n3)cc2)CC1
InChIInChI=1S/C25H27N5O2/c1-16-7-13-20(14-8-16)28-24(31)18-11-9-17(10-12-18)21-15-27-23(26)22(30-21)25(32)29-19-5-3-2-4-6-19/h2-6,9-12,15-16,20H,7-8,13-14H2,1H3,(H2,26,27)(H,28,31)(H,29,32)
InChIKeyIWJTYTFKOACGBL-UHFFFAOYSA-N
XLogP4.29
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide (CID 59472077) is 3-amino-6-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide is CC1CCC(NC(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4ccccc4)n3)cc2)CC1.
What is the InChIKey of 3-amino-6-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide?
The InChIKey is IWJTYTFKOACGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-16-7-13-20(14-8-16)28-24(31)18-11-9-17(10-12-18)21-15-27-23(26)22(30-21)25(32)29-19-5-3-2-4-6-19/h2-6,9-12,15-16,20H,7-8,13-14H2,1H3,(H2,26,27)(H,28,31)(H,29,32).
What are the key properties of 3-amino-6-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide?
3-amino-6-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 4.29, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 59472077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).