5-(3-acetamidopiperidin-1-yl)-3-[4-[2-(dimethylamino)ethoxy]anilino]pyrazine-2-carboxamide

C22H31N7O3 — CID 123213976

IUPAC5-(3-acetamidopiperidin-1-yl)-3-[4-[2-(dimethylamino)ethoxy]anilino]pyrazine-2-carboxamide
SMILESCC(=O)NC1CCCN(c2cnc(C(N)=O)c(Nc3ccc(OCCN(C)C)cc3)n2)C1
InChIInChI=1S/C22H31N7O3/c1-15(30)25-17-5-4-10-29(14-17)19-13-24-20(21(23)31)22(27-19)26-16-6-8-18(9-7-16)32-12-11-28(2)3/h6-9,13,17H,4-5,10-12,14H2,1-3H3,(H2,23,31)(H,25,30)(H,26,27)
InChIKeyVCCBOPZHYUCJEO-UHFFFAOYSA-N
MW441.54 g/mol
LogP1.36
Rot. Bonds9

About 5-(3-acetamidopiperidin-1-yl)-3-[4-[2-(dimethylamino)ethoxy]anilino]pyrazine-2-carboxamide

5-(3-acetamidopiperidin-1-yl)-3-[4-[2-(dimethylamino)ethoxy]anilino]pyrazine-2-carboxamide (PubChem CID 123213976) has the molecular formula C22H31N7O3 and a molecular weight of 441.54 g/mol. Its IUPAC name is 5-(3-acetamidopiperidin-1-yl)-3-[4-[2-(dimethylamino)ethoxy]anilino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3-acetamidopiperidin-1-yl)-3-[4-[2-(dimethylamino)ethoxy]anilino]pyrazine-2-carboxamide
PubChem CID123213976
Molecular FormulaC22H31N7O3
Molecular Weight441.54 g/mol
Exact Mass441.25
IUPAC Name5-(3-acetamidopiperidin-1-yl)-3-[4-[2-(dimethylamino)ethoxy]anilino]pyrazine-2-carboxamide
SMILESCC(=O)NC1CCCN(c2cnc(C(N)=O)c(Nc3ccc(OCCN(C)C)cc3)n2)C1
InChIInChI=1S/C22H31N7O3/c1-15(30)25-17-5-4-10-29(14-17)19-13-24-20(21(23)31)22(27-19)26-16-6-8-18(9-7-16)32-12-11-28(2)3/h6-9,13,17H,4-5,10-12,14H2,1-3H3,(H2,23,31)(H,25,30)(H,26,27)
InChIKeyVCCBOPZHYUCJEO-UHFFFAOYSA-N
XLogP1.36
TPSA125.71 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

5-(3-acetamidopiperidin-1-yl)-3-(4-fluoroanilino)pyrazine-2-carboxamide
CID 123243171
3-[4-[2-(dimethylamino)ethoxy]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide;4-methoxy-N-methylbenzamide
CID 144858094
3-[4-(dimethylcarbamoyl)anilino]-5-[3-[(4-methoxybenzoyl)amino]piperidin-1-yl]pyrazine-2-carboxamide
CID 118115397
2-[4-[[3-carbamoyl-6-[3-[(4-methoxybenzoyl)amino]piperidin-1-yl]pyrazin-2-yl]amino]phenoxy]-N,N-dimethylethanamine oxide
CID 118115194
3-[4-(2-methoxyethoxy)anilino]-5-[(3R)-3-(2-phenylethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 118143000
3-[4-(2-methoxyethoxy)anilino]-5-[3-(1-phenylethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 123257057
3-[4-(1-cyclopentylpiperidin-4-yl)oxyanilino]-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 145201117
3-(4-cyclohexylanilino)-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 118115170
5-[3-(dimethylcarbamoylamino)piperidin-1-yl]-3-[4-(1-propanoylpiperidin-4-yl)anilino]pyrazine-2-carboxamide
CID 118114616
3-[4-(1-amino-2-methyl-1-oxopropan-2-yl)anilino]-5-[3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 118114795
3-[4-(1-carbamoylcyclopropyl)anilino]-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 118114726
3-[4-(2-cyanopropan-2-yl)anilino]-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 118114665

Frequently Asked Questions

What is the IUPAC name of 5-(3-acetamidopiperidin-1-yl)-3-[4-[2-(dimethylamino)ethoxy]anilino]pyrazine-2-carboxamide?
The IUPAC name of 5-(3-acetamidopiperidin-1-yl)-3-[4-[2-(dimethylamino)ethoxy]anilino]pyrazine-2-carboxamide (CID 123213976) is 5-(3-acetamidopiperidin-1-yl)-3-[4-[2-(dimethylamino)ethoxy]anilino]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(3-acetamidopiperidin-1-yl)-3-[4-[2-(dimethylamino)ethoxy]anilino]pyrazine-2-carboxamide?
The canonical SMILES for 5-(3-acetamidopiperidin-1-yl)-3-[4-[2-(dimethylamino)ethoxy]anilino]pyrazine-2-carboxamide is CC(=O)NC1CCCN(c2cnc(C(N)=O)c(Nc3ccc(OCCN(C)C)cc3)n2)C1.
What is the InChIKey of 5-(3-acetamidopiperidin-1-yl)-3-[4-[2-(dimethylamino)ethoxy]anilino]pyrazine-2-carboxamide?
The InChIKey is VCCBOPZHYUCJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N7O3/c1-15(30)25-17-5-4-10-29(14-17)19-13-24-20(21(23)31)22(27-19)26-16-6-8-18(9-7-16)32-12-11-28(2)3/h6-9,13,17H,4-5,10-12,14H2,1-3H3,(H2,23,31)(H,25,30)(H,26,27).
What are the key properties of 5-(3-acetamidopiperidin-1-yl)-3-[4-[2-(dimethylamino)ethoxy]anilino]pyrazine-2-carboxamide?
5-(3-acetamidopiperidin-1-yl)-3-[4-[2-(dimethylamino)ethoxy]anilino]pyrazine-2-carboxamide has a molecular weight of 441.54 g/mol, XLogP of 1.36, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-acetamidopiperidin-1-yl)-3-[4-[2-(dimethylamino)ethoxy]anilino]pyrazine-2-carboxamide is sourced from PubChem (CID 123213976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).