3-[(dimethylamino)methyl]-5-(6-ethoxypyrazin-2-yl)-N-[(4-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;methylcyclopropane;molecular hydrogen

C26H38N6O2 — CID 163271973

IUPAC3-[(dimethylamino)methyl]-5-(6-ethoxypyrazin-2-yl)-N-[(4-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;methylcyclopropane;molecular hydrogen
SMILESCC1CC1.CCOc1cncc(-c2cnc(C(=O)NCc3cc(C)ccn3)c(CN(C)C)c2)n1.[H][H].[H][H]
InChIInChI=1S/C22H26N6O2.C4H8.2H2/c1-5-30-20-13-23-12-19(27-20)16-9-17(14-28(3)4)21(25-10-16)22(29)26-11-18-8-15(2)6-7-24-18;1-4-2-3-4;;/h6-10,12-13H,5,11,14H2,1-4H3,(H,26,29);4H,2-3H2,1H3;2*1H
InChIKeyQRWBEZGFMQQJCH-UHFFFAOYSA-N
MW466.63 g/mol
LogP4.54
Rot. Bonds8

About 3-[(dimethylamino)methyl]-5-(6-ethoxypyrazin-2-yl)-N-[(4-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;methylcyclopropane;molecular hydrogen

3-[(dimethylamino)methyl]-5-(6-ethoxypyrazin-2-yl)-N-[(4-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;methylcyclopropane;molecular hydrogen (PubChem CID 163271973) has the molecular formula C26H38N6O2 and a molecular weight of 466.63 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-5-(6-ethoxypyrazin-2-yl)-N-[(4-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;methylcyclopropane;molecular hydrogen.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-5-(6-ethoxypyrazin-2-yl)-N-[(4-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;methylcyclopropane;molecular hydrogen
PubChem CID163271973
Molecular FormulaC26H38N6O2
Molecular Weight466.63 g/mol
Exact Mass466.31
IUPAC Name3-[(dimethylamino)methyl]-5-(6-ethoxypyrazin-2-yl)-N-[(4-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;methylcyclopropane;molecular hydrogen
SMILESCC1CC1.CCOc1cncc(-c2cnc(C(=O)NCc3cc(C)ccn3)c(CN(C)C)c2)n1.[H][H].[H][H]
InChIInChI=1S/C22H26N6O2.C4H8.2H2/c1-5-30-20-13-23-12-19(27-20)16-9-17(14-28(3)4)21(25-10-16)22(29)26-11-18-8-15(2)6-7-24-18;1-4-2-3-4;;/h6-10,12-13H,5,11,14H2,1-4H3,(H,26,29);4H,2-3H2,1H3;2*1H
InChIKeyQRWBEZGFMQQJCH-UHFFFAOYSA-N
XLogP4.54
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.63
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-5-(6-ethoxypyrazin-2-yl)-N-[(4-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;methylcyclopropane;molecular hydrogen?
The IUPAC name of 3-[(dimethylamino)methyl]-5-(6-ethoxypyrazin-2-yl)-N-[(4-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;methylcyclopropane;molecular hydrogen (CID 163271973) is 3-[(dimethylamino)methyl]-5-(6-ethoxypyrazin-2-yl)-N-[(4-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;methylcyclopropane;molecular hydrogen.
What is the SMILES notation for 3-[(dimethylamino)methyl]-5-(6-ethoxypyrazin-2-yl)-N-[(4-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;methylcyclopropane;molecular hydrogen?
The canonical SMILES for 3-[(dimethylamino)methyl]-5-(6-ethoxypyrazin-2-yl)-N-[(4-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;methylcyclopropane;molecular hydrogen is CC1CC1.CCOc1cncc(-c2cnc(C(=O)NCc3cc(C)ccn3)c(CN(C)C)c2)n1.[H][H].[H][H].
What is the InChIKey of 3-[(dimethylamino)methyl]-5-(6-ethoxypyrazin-2-yl)-N-[(4-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;methylcyclopropane;molecular hydrogen?
The InChIKey is QRWBEZGFMQQJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2.C4H8.2H2/c1-5-30-20-13-23-12-19(27-20)16-9-17(14-28(3)4)21(25-10-16)22(29)26-11-18-8-15(2)6-7-24-18;1-4-2-3-4;;/h6-10,12-13H,5,11,14H2,1-4H3,(H,26,29);4H,2-3H2,1H3;2*1H.
What are the key properties of 3-[(dimethylamino)methyl]-5-(6-ethoxypyrazin-2-yl)-N-[(4-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;methylcyclopropane;molecular hydrogen?
3-[(dimethylamino)methyl]-5-(6-ethoxypyrazin-2-yl)-N-[(4-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;methylcyclopropane;molecular hydrogen has a molecular weight of 466.63 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-5-(6-ethoxypyrazin-2-yl)-N-[(4-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;methylcyclopropane;molecular hydrogen is sourced from PubChem (CID 163271973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).