6-amino-1-methyl-N-phenyl-3-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-2H-pyrazine-5-carboxamide

C28H34N6O2 — CID 163849106

IUPAC6-amino-1-methyl-N-phenyl-3-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-2H-pyrazine-5-carboxamide
SMILESCN1CC(c2ccc(C(=O)N3CCC(N4CCCC4)CC3)cc2)=NC(C(=O)Nc2ccccc2)=C1N
InChIInChI=1S/C28H34N6O2/c1-32-19-24(31-25(26(32)29)27(35)30-22-7-3-2-4-8-22)20-9-11-21(12-10-20)28(36)34-17-13-23(14-18-34)33-15-5-6-16-33/h2-4,7-12,23H,5-6,13-19,29H2,1H3,(H,30,35)
InChIKeyOSTXURPLYMBDKS-UHFFFAOYSA-N
MW486.62 g/mol
LogP2.89
Rot. Bonds5

About 6-amino-1-methyl-N-phenyl-3-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-2H-pyrazine-5-carboxamide

6-amino-1-methyl-N-phenyl-3-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-2H-pyrazine-5-carboxamide (PubChem CID 163849106) has the molecular formula C28H34N6O2 and a molecular weight of 486.62 g/mol. Its IUPAC name is 6-amino-1-methyl-N-phenyl-3-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-2H-pyrazine-5-carboxamide.

Molecular Properties

Compound Name6-amino-1-methyl-N-phenyl-3-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-2H-pyrazine-5-carboxamide
PubChem CID163849106
Molecular FormulaC28H34N6O2
Molecular Weight486.62 g/mol
Exact Mass486.27
IUPAC Name6-amino-1-methyl-N-phenyl-3-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-2H-pyrazine-5-carboxamide
SMILESCN1CC(c2ccc(C(=O)N3CCC(N4CCCC4)CC3)cc2)=NC(C(=O)Nc2ccccc2)=C1N
InChIInChI=1S/C28H34N6O2/c1-32-19-24(31-25(26(32)29)27(35)30-22-7-3-2-4-8-22)20-9-11-21(12-10-20)28(36)34-17-13-23(14-18-34)33-15-5-6-16-33/h2-4,7-12,23H,5-6,13-19,29H2,1H3,(H,30,35)
InChIKeyOSTXURPLYMBDKS-UHFFFAOYSA-N
XLogP2.89
TPSA94.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 70679311
N-phenyl-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044285
(4-aminophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
CID 119842939
2-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 17123959
1-(4-benzamidobenzoyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 46384509
N-[4-[4-(1-methylpiperidin-3-yl)piperazine-1-carbonyl]phenyl]benzamide
CID 86958179
N-[4-(4-cyclopropylpiperazine-1-carbonyl)phenyl]acetamide
CID 110741243
[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;oxalic acid
CID 90483458
1-(4-benzamidobenzoyl)piperidine-4-carboxylic acid
CID 94830857
4-(phenylcarbamoylamino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55532549
1-[4-[4-(1-methylpiperidin-3-yl)piperazine-1-carbonyl]phenyl]-3-phenylurea
CID 86958381
N-[4-(azepane-1-carbonyl)phenyl]benzamide
CID 17153241

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-methyl-N-phenyl-3-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-2H-pyrazine-5-carboxamide?
The IUPAC name of 6-amino-1-methyl-N-phenyl-3-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-2H-pyrazine-5-carboxamide (CID 163849106) is 6-amino-1-methyl-N-phenyl-3-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-2H-pyrazine-5-carboxamide.
What is the SMILES notation for 6-amino-1-methyl-N-phenyl-3-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-2H-pyrazine-5-carboxamide?
The canonical SMILES for 6-amino-1-methyl-N-phenyl-3-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-2H-pyrazine-5-carboxamide is CN1CC(c2ccc(C(=O)N3CCC(N4CCCC4)CC3)cc2)=NC(C(=O)Nc2ccccc2)=C1N.
What is the InChIKey of 6-amino-1-methyl-N-phenyl-3-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-2H-pyrazine-5-carboxamide?
The InChIKey is OSTXURPLYMBDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O2/c1-32-19-24(31-25(26(32)29)27(35)30-22-7-3-2-4-8-22)20-9-11-21(12-10-20)28(36)34-17-13-23(14-18-34)33-15-5-6-16-33/h2-4,7-12,23H,5-6,13-19,29H2,1H3,(H,30,35).
What are the key properties of 6-amino-1-methyl-N-phenyl-3-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-2H-pyrazine-5-carboxamide?
6-amino-1-methyl-N-phenyl-3-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-2H-pyrazine-5-carboxamide has a molecular weight of 486.62 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-methyl-N-phenyl-3-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-2H-pyrazine-5-carboxamide is sourced from PubChem (CID 163849106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).