5-[3-(dimethylcarbamoylamino)piperidin-1-yl]-3-[4-(1-propanoylpiperidin-4-yl)anilino]pyrazine-2-carboxamide

C27H38N8O3 — CID 118114616

IUPAC5-[3-(dimethylcarbamoylamino)piperidin-1-yl]-3-[4-(1-propanoylpiperidin-4-yl)anilino]pyrazine-2-carboxamide
SMILESCCC(=O)N1CCC(c2ccc(Nc3nc(N4CCCC(NC(=O)N(C)C)C4)cnc3C(N)=O)cc2)CC1
InChIInChI=1S/C27H38N8O3/c1-4-23(36)34-14-11-19(12-15-34)18-7-9-20(10-8-18)30-26-24(25(28)37)29-16-22(32-26)35-13-5-6-21(17-35)31-27(38)33(2)3/h7-10,16,19,21H,4-6,11-15,17H2,1-3H3,(H2,28,37)(H,30,32)(H,31,38)
InChIKeyOIBIOFXJAJUALW-UHFFFAOYSA-N
MW522.65 g/mol
LogP2.68
Rot. Bonds7

About 5-[3-(dimethylcarbamoylamino)piperidin-1-yl]-3-[4-(1-propanoylpiperidin-4-yl)anilino]pyrazine-2-carboxamide

5-[3-(dimethylcarbamoylamino)piperidin-1-yl]-3-[4-(1-propanoylpiperidin-4-yl)anilino]pyrazine-2-carboxamide (PubChem CID 118114616) has the molecular formula C27H38N8O3 and a molecular weight of 522.65 g/mol. Its IUPAC name is 5-[3-(dimethylcarbamoylamino)piperidin-1-yl]-3-[4-(1-propanoylpiperidin-4-yl)anilino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[3-(dimethylcarbamoylamino)piperidin-1-yl]-3-[4-(1-propanoylpiperidin-4-yl)anilino]pyrazine-2-carboxamide
PubChem CID118114616
Molecular FormulaC27H38N8O3
Molecular Weight522.65 g/mol
Exact Mass522.31
IUPAC Name5-[3-(dimethylcarbamoylamino)piperidin-1-yl]-3-[4-(1-propanoylpiperidin-4-yl)anilino]pyrazine-2-carboxamide
SMILESCCC(=O)N1CCC(c2ccc(Nc3nc(N4CCCC(NC(=O)N(C)C)C4)cnc3C(N)=O)cc2)CC1
InChIInChI=1S/C27H38N8O3/c1-4-23(36)34-14-11-19(12-15-34)18-7-9-20(10-8-18)30-26-24(25(28)37)29-16-22(32-26)35-13-5-6-21(17-35)31-27(38)33(2)3/h7-10,16,19,21H,4-6,11-15,17H2,1-3H3,(H2,28,37)(H,30,32)(H,31,38)
InChIKeyOIBIOFXJAJUALW-UHFFFAOYSA-N
XLogP2.68
TPSA136.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.65
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 118873253
HC-030031
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NX-5948
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Tcs 5861528
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3H-Imidazole-4-carboxylic acid, 3-methyl-5-[(pyridin-4-ylmethyl)amino]-, (4-tert-butylphenyl)amide
CID 6425419
3-Amino-N-[4-(4-amino-1-piperidinyl)-3-pyridinyl]-6-phenyl-2-pyrazinecarboxamide
CID 68187629
3-amino-N-[3-(4-aminopiperidin-1-yl)pyridin-2-yl]-6-[6-(dimethylamino)-3-(trifluoromethyl)pyridin-2-yl]pyrazine-2-carboxamide
CID 118873182
3-amino-N-[3-(4-aminopiperidin-1-yl)pyridin-2-yl]-6-[6-(azetidin-1-yl)-3-(trifluoromethyl)pyridin-2-yl]pyrazine-2-carboxamide
CID 118873326
3-Amino-6-{3-[(Methylsulfonyl)amino]phenyl}-N-(Piperidin-4-Ylmethyl)pyrazine-2-Carboxamide
CID 56947174
(R)-5-(3-(3-Methyl-2-oxoimidazolidin-1-YL)piperidin-1-YL)-3-((4-(piperidin-4-YL)phenyl)amino)pyrazine-2-carboxamide
CID 118114824
2-[4-(2-methyl-4-pyridinyl)anilino]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 122192864
2-[N-methyl-4-(2-methyl-4-pyridinyl)anilino]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 122192865

Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylcarbamoylamino)piperidin-1-yl]-3-[4-(1-propanoylpiperidin-4-yl)anilino]pyrazine-2-carboxamide?
The IUPAC name of 5-[3-(dimethylcarbamoylamino)piperidin-1-yl]-3-[4-(1-propanoylpiperidin-4-yl)anilino]pyrazine-2-carboxamide (CID 118114616) is 5-[3-(dimethylcarbamoylamino)piperidin-1-yl]-3-[4-(1-propanoylpiperidin-4-yl)anilino]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[3-(dimethylcarbamoylamino)piperidin-1-yl]-3-[4-(1-propanoylpiperidin-4-yl)anilino]pyrazine-2-carboxamide?
The canonical SMILES for 5-[3-(dimethylcarbamoylamino)piperidin-1-yl]-3-[4-(1-propanoylpiperidin-4-yl)anilino]pyrazine-2-carboxamide is CCC(=O)N1CCC(c2ccc(Nc3nc(N4CCCC(NC(=O)N(C)C)C4)cnc3C(N)=O)cc2)CC1.
What is the InChIKey of 5-[3-(dimethylcarbamoylamino)piperidin-1-yl]-3-[4-(1-propanoylpiperidin-4-yl)anilino]pyrazine-2-carboxamide?
The InChIKey is OIBIOFXJAJUALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N8O3/c1-4-23(36)34-14-11-19(12-15-34)18-7-9-20(10-8-18)30-26-24(25(28)37)29-16-22(32-26)35-13-5-6-21(17-35)31-27(38)33(2)3/h7-10,16,19,21H,4-6,11-15,17H2,1-3H3,(H2,28,37)(H,30,32)(H,31,38).
What are the key properties of 5-[3-(dimethylcarbamoylamino)piperidin-1-yl]-3-[4-(1-propanoylpiperidin-4-yl)anilino]pyrazine-2-carboxamide?
5-[3-(dimethylcarbamoylamino)piperidin-1-yl]-3-[4-(1-propanoylpiperidin-4-yl)anilino]pyrazine-2-carboxamide has a molecular weight of 522.65 g/mol, XLogP of 2.68, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylcarbamoylamino)piperidin-1-yl]-3-[4-(1-propanoylpiperidin-4-yl)anilino]pyrazine-2-carboxamide is sourced from PubChem (CID 118114616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).