4-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide

C21H28N6O3 — CID 175982902

IUPAC4-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
SMILESCCOc1cncc(-c2ccc(NC(=O)C3CCN(C(=O)NC(C)C)CC3)nc2)n1
InChIInChI=1S/C21H28N6O3/c1-4-30-19-13-22-12-17(25-19)16-5-6-18(23-11-16)26-20(28)15-7-9-27(10-8-15)21(29)24-14(2)3/h5-6,11-15H,4,7-10H2,1-3H3,(H,24,29)(H,23,26,28)
InChIKeySRPSBOMRKQMACT-UHFFFAOYSA-N
MW412.49 g/mol
LogP2.71
Rot. Bonds6

About 4-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide

4-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide (PubChem CID 175982902) has the molecular formula C21H28N6O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 4-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
PubChem CID175982902
Molecular FormulaC21H28N6O3
Molecular Weight412.49 g/mol
Exact Mass412.22
IUPAC Name4-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
SMILESCCOc1cncc(-c2ccc(NC(=O)C3CCN(C(=O)NC(C)C)CC3)nc2)n1
InChIInChI=1S/C21H28N6O3/c1-4-30-19-13-22-12-17(25-19)16-5-6-18(23-11-16)26-20(28)15-7-9-27(10-8-15)21(29)24-14(2)3/h5-6,11-15H,4,7-10H2,1-3H3,(H,24,29)(H,23,26,28)
InChIKeySRPSBOMRKQMACT-UHFFFAOYSA-N
XLogP2.71
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide with MolForge

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Related Compounds

4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-4-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 155375770
tert-butyl 4-[4-(cyclopropylsulfonylamino)pyrimidin-2-yl]-4-[[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 155375695
4-N-(4-methoxyphenyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 46428723
tert-butyl 4-[[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]carbamoyl]-4-(2-methylsulfinylpyrimidin-4-yl)piperidine-1-carboxylate
CID 176652542
1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4,4-difluorocyclohexane-1-carboxamide
CID 155379084
cyclopentyl-[3-[(6-ethoxypyrazin-2-yl)amino]pyrrolidin-1-yl]methanone
CID 133375004
1-N-propan-2-yl-4-N-(4-propan-2-ylphenyl)piperidine-1,4-dicarboxamide
CID 46428935
4-N-(2-methylphenyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 113006099
[5-(6-ethoxypyrazin-2-yl)-1,3-thiazol-2-yl]-pyrrolidin-1-ylmethanone
CID 163271807
4-N-(3-fluorophenyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 113008251
1-methyl-N-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]piperidine-4-carboxamide
CID 138590247
6-ethoxy-N-propan-2-ylpyrazine-2-carboxamide
CID 176998617

Frequently Asked Questions

What is the IUPAC name of 4-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide (CID 175982902) is 4-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide is CCOc1cncc(-c2ccc(NC(=O)C3CCN(C(=O)NC(C)C)CC3)nc2)n1.
What is the InChIKey of 4-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide?
The InChIKey is SRPSBOMRKQMACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O3/c1-4-30-19-13-22-12-17(25-19)16-5-6-18(23-11-16)26-20(28)15-7-9-27(10-8-15)21(29)24-14(2)3/h5-6,11-15H,4,7-10H2,1-3H3,(H,24,29)(H,23,26,28).
What are the key properties of 4-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide?
4-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide has a molecular weight of 412.49 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 175982902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).