3-amino-N-phenyl-6-[4-(pyrrolidine-1-carbonyl)cyclohexa-1,3-dien-1-yl]pyrazine-2-carboxamide

C22H23N5O2 — CID 70883129

IUPAC3-amino-N-phenyl-6-[4-(pyrrolidine-1-carbonyl)cyclohexa-1,3-dien-1-yl]pyrazine-2-carboxamide
SMILESNc1ncc(C2=CC=C(C(=O)N3CCCC3)CC2)nc1C(=O)Nc1ccccc1
InChIInChI=1S/C22H23N5O2/c23-20-19(21(28)25-17-6-2-1-3-7-17)26-18(14-24-20)15-8-10-16(11-9-15)22(29)27-12-4-5-13-27/h1-3,6-8,10,14H,4-5,9,11-13H2,(H2,23,24)(H,25,28)
InChIKeyZPUVIMJHJFWQKM-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.04
Rot. Bonds4

About 3-amino-N-phenyl-6-[4-(pyrrolidine-1-carbonyl)cyclohexa-1,3-dien-1-yl]pyrazine-2-carboxamide

3-amino-N-phenyl-6-[4-(pyrrolidine-1-carbonyl)cyclohexa-1,3-dien-1-yl]pyrazine-2-carboxamide (PubChem CID 70883129) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 3-amino-N-phenyl-6-[4-(pyrrolidine-1-carbonyl)cyclohexa-1,3-dien-1-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-phenyl-6-[4-(pyrrolidine-1-carbonyl)cyclohexa-1,3-dien-1-yl]pyrazine-2-carboxamide
PubChem CID70883129
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name3-amino-N-phenyl-6-[4-(pyrrolidine-1-carbonyl)cyclohexa-1,3-dien-1-yl]pyrazine-2-carboxamide
SMILESNc1ncc(C2=CC=C(C(=O)N3CCCC3)CC2)nc1C(=O)Nc1ccccc1
InChIInChI=1S/C22H23N5O2/c23-20-19(21(28)25-17-6-2-1-3-7-17)26-18(14-24-20)15-8-10-16(11-9-15)22(29)27-12-4-5-13-27/h1-3,6-8,10,14H,4-5,9,11-13H2,(H2,23,24)(H,25,28)
InChIKeyZPUVIMJHJFWQKM-UHFFFAOYSA-N
XLogP3.04
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-6-(cyclohexen-1-yl)-N-phenylpyrazine-2-carboxamide
CID 52937150
3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen
CID 159487418
3-amino-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 59471661
3-amino-N-phenyl-6-pyrimidin-5-ylpyrazine-2-carboxamide
CID 59471810
3-amino-N-phenyl-6-[4-(2-piperidin-1-ylethylcarbamoyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen
CID 160987828
6-(4-acetylphenyl)-3-amino-N-phenylpyrazine-2-carboxamide
CID 59472127
3-amino-6-[4-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 59471893
3-amino-6-[4-(methylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 52937456
3-amino-6-(2-methoxyphenyl)-N-phenylpyrazine-2-carboxamide
CID 52937257
3-amino-6-(3-methoxyphenyl)-N-phenylpyrazine-2-carboxamide
CID 52937360
3-amino-6-[2-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen
CID 158114259
3-amino-6-(2-methylsulfinylphenyl)-N-phenylpyrazine-2-carboxamide
CID 52937254

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-phenyl-6-[4-(pyrrolidine-1-carbonyl)cyclohexa-1,3-dien-1-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-phenyl-6-[4-(pyrrolidine-1-carbonyl)cyclohexa-1,3-dien-1-yl]pyrazine-2-carboxamide (CID 70883129) is 3-amino-N-phenyl-6-[4-(pyrrolidine-1-carbonyl)cyclohexa-1,3-dien-1-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-phenyl-6-[4-(pyrrolidine-1-carbonyl)cyclohexa-1,3-dien-1-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-phenyl-6-[4-(pyrrolidine-1-carbonyl)cyclohexa-1,3-dien-1-yl]pyrazine-2-carboxamide is Nc1ncc(C2=CC=C(C(=O)N3CCCC3)CC2)nc1C(=O)Nc1ccccc1.
What is the InChIKey of 3-amino-N-phenyl-6-[4-(pyrrolidine-1-carbonyl)cyclohexa-1,3-dien-1-yl]pyrazine-2-carboxamide?
The InChIKey is ZPUVIMJHJFWQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c23-20-19(21(28)25-17-6-2-1-3-7-17)26-18(14-24-20)15-8-10-16(11-9-15)22(29)27-12-4-5-13-27/h1-3,6-8,10,14H,4-5,9,11-13H2,(H2,23,24)(H,25,28).
What are the key properties of 3-amino-N-phenyl-6-[4-(pyrrolidine-1-carbonyl)cyclohexa-1,3-dien-1-yl]pyrazine-2-carboxamide?
3-amino-N-phenyl-6-[4-(pyrrolidine-1-carbonyl)cyclohexa-1,3-dien-1-yl]pyrazine-2-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-phenyl-6-[4-(pyrrolidine-1-carbonyl)cyclohexa-1,3-dien-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 70883129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).