5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]-3-[(1-methyl-2-oxo-4-pyridinyl)amino]pyrazine-2-carboxamide

C19H26N8O3 — CID 118115089

IUPAC5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]-3-[(1-methyl-2-oxo-4-pyridinyl)amino]pyrazine-2-carboxamide
SMILESCN(C)C(=O)N[C@@H]1CCCN(c2cnc(C(N)=O)c(Nc3ccn(C)c(=O)c3)n2)C1
InChIInChI=1S/C19H26N8O3/c1-25(2)19(30)23-13-5-4-7-27(11-13)14-10-21-16(17(20)29)18(24-14)22-12-6-8-26(3)15(28)9-12/h6,8-10,13H,4-5,7,11H2,1-3H3,(H2,20,29)(H,22,24)(H,23,30)/t13-/m1/s1
InChIKeyMREVZXMHOMNGAB-CYBMUJFWSA-N
MW414.47 g/mol
LogP0.26
Rot. Bonds5

About 5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]-3-[(1-methyl-2-oxo-4-pyridinyl)amino]pyrazine-2-carboxamide

5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]-3-[(1-methyl-2-oxo-4-pyridinyl)amino]pyrazine-2-carboxamide (PubChem CID 118115089) has the molecular formula C19H26N8O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]-3-[(1-methyl-2-oxo-4-pyridinyl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]-3-[(1-methyl-2-oxo-4-pyridinyl)amino]pyrazine-2-carboxamide
PubChem CID118115089
Molecular FormulaC19H26N8O3
Molecular Weight414.47 g/mol
Exact Mass414.21
IUPAC Name5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]-3-[(1-methyl-2-oxo-4-pyridinyl)amino]pyrazine-2-carboxamide
SMILESCN(C)C(=O)N[C@@H]1CCCN(c2cnc(C(N)=O)c(Nc3ccn(C)c(=O)c3)n2)C1
InChIInChI=1S/C19H26N8O3/c1-25(2)19(30)23-13-5-4-7-27(11-13)14-10-21-16(17(20)29)18(24-14)22-12-6-8-26(3)15(28)9-12/h6,8-10,13H,4-5,7,11H2,1-3H3,(H2,20,29)(H,22,24)(H,23,30)/t13-/m1/s1
InChIKeyMREVZXMHOMNGAB-CYBMUJFWSA-N
XLogP0.26
TPSA138.48 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

3-(4-cyclohexylanilino)-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 118115170
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-(1-cyclobutylpiperidin-4-yl)anilino]-5-[3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 118114897
3-[4-(2-cyanopropan-2-yl)anilino]-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 118114665
3-[4-(1-cyclopentylpiperidin-4-yl)oxyanilino]-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 145201117
3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-5-[(3R)-3-(dimethylcarbamoylamino)azepan-1-yl]pyrazine-2-carboxamide
CID 118114936
5-[3-(dimethylcarbamoylamino)piperidin-1-yl]-3-[4-(1-propanoylpiperidin-4-yl)anilino]pyrazine-2-carboxamide
CID 118114616
5-[3-(dimethylcarbamoylamino)piperidin-1-yl]-3-[4-[1-(dimethylcarbamoyl)-4-methylpiperidin-4-yl]anilino]pyrazine-2-carboxamide
CID 118115193
5-(3-acetamidopiperidin-1-yl)-3-(4-fluoroanilino)pyrazine-2-carboxamide
CID 123243171
tert-butyl 4-[4-[[3-carbamoyl-6-[3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate
CID 118115760
3-[4-(dimethylcarbamoyl)anilino]-5-[3-[(4-methoxybenzoyl)amino]piperidin-1-yl]pyrazine-2-carboxamide
CID 118115397

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]-3-[(1-methyl-2-oxo-4-pyridinyl)amino]pyrazine-2-carboxamide?
The IUPAC name of 5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]-3-[(1-methyl-2-oxo-4-pyridinyl)amino]pyrazine-2-carboxamide (CID 118115089) is 5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]-3-[(1-methyl-2-oxo-4-pyridinyl)amino]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]-3-[(1-methyl-2-oxo-4-pyridinyl)amino]pyrazine-2-carboxamide?
The canonical SMILES for 5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]-3-[(1-methyl-2-oxo-4-pyridinyl)amino]pyrazine-2-carboxamide is CN(C)C(=O)N[C@@H]1CCCN(c2cnc(C(N)=O)c(Nc3ccn(C)c(=O)c3)n2)C1.
What is the InChIKey of 5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]-3-[(1-methyl-2-oxo-4-pyridinyl)amino]pyrazine-2-carboxamide?
The InChIKey is MREVZXMHOMNGAB-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H26N8O3/c1-25(2)19(30)23-13-5-4-7-27(11-13)14-10-21-16(17(20)29)18(24-14)22-12-6-8-26(3)15(28)9-12/h6,8-10,13H,4-5,7,11H2,1-3H3,(H2,20,29)(H,22,24)(H,23,30)/t13-/m1/s1.
What are the key properties of 5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]-3-[(1-methyl-2-oxo-4-pyridinyl)amino]pyrazine-2-carboxamide?
5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]-3-[(1-methyl-2-oxo-4-pyridinyl)amino]pyrazine-2-carboxamide has a molecular weight of 414.47 g/mol, XLogP of 0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]-3-[(1-methyl-2-oxo-4-pyridinyl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 118115089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).