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N-[[4-(cyclopropylsulfonylamino)-2-pyridinyl]methyl]-5-(6-methoxypyrazin-2-yl)pyridine-2-carboxamide

C20H20N6O4S — CID 163271317

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[[4-(cyclopropylsulfonylamino)-2-pyridinyl]methyl]-5-(6-methoxypyrazin-2-yl)pyridine-2-carboxamide
SMILESCOc1cncc(-c2ccc(C(=O)NCc3cc(NS(=O)(=O)C4CC4)ccn3)nc2)n1
InChIInChI=1S/C20H20N6O4S/c1-30-19-12-21-11-18(25-19)13-2-5-17(23-9-13)20(27)24-10-15-8-14(6-7-22-15)26-31(28,29)16-3-4-16/h2,5-9,11-12,16H,3-4,10H2,1H3,(H,22,26)(H,24,27)
InChIKeyQNXNGQCTOYZTGZ-UHFFFAOYSA-N
MW440.49 g/mol
LogP1.78
Rot. Bonds8

About N-[[4-(cyclopropylsulfonylamino)-2-pyridinyl]methyl]-5-(6-methoxypyrazin-2-yl)pyridine-2-carboxamide

N-[[4-(cyclopropylsulfonylamino)-2-pyridinyl]methyl]-5-(6-methoxypyrazin-2-yl)pyridine-2-carboxamide (PubChem CID 163271317) has the molecular formula C20H20N6O4S and a molecular weight of 440.49 g/mol. Its IUPAC name is N-[[4-(cyclopropylsulfonylamino)-2-pyridinyl]methyl]-5-(6-methoxypyrazin-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(cyclopropylsulfonylamino)-2-pyridinyl]methyl]-5-(6-methoxypyrazin-2-yl)pyridine-2-carboxamide
PubChem CID163271317
Molecular FormulaC20H20N6O4S
Molecular Weight440.49 g/mol
Exact Mass440.13
IUPAC NameN-[[4-(cyclopropylsulfonylamino)-2-pyridinyl]methyl]-5-(6-methoxypyrazin-2-yl)pyridine-2-carboxamide
SMILESCOc1cncc(-c2ccc(C(=O)NCc3cc(NS(=O)(=O)C4CC4)ccn3)nc2)n1
InChIInChI=1S/C20H20N6O4S/c1-30-19-12-21-11-18(25-19)13-2-5-17(23-9-13)20(27)24-10-15-8-14(6-7-22-15)26-31(28,29)16-3-4-16/h2,5-9,11-12,16H,3-4,10H2,1H3,(H,22,26)(H,24,27)
InChIKeyQNXNGQCTOYZTGZ-UHFFFAOYSA-N
XLogP1.78
TPSA136.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclopropylsulfonylamino)-2-pyridinyl]methyl]-5-(6-methoxypyrazin-2-yl)pyridine-2-carboxamide?
The IUPAC name of N-[[4-(cyclopropylsulfonylamino)-2-pyridinyl]methyl]-5-(6-methoxypyrazin-2-yl)pyridine-2-carboxamide (CID 163271317) is N-[[4-(cyclopropylsulfonylamino)-2-pyridinyl]methyl]-5-(6-methoxypyrazin-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-(cyclopropylsulfonylamino)-2-pyridinyl]methyl]-5-(6-methoxypyrazin-2-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[[4-(cyclopropylsulfonylamino)-2-pyridinyl]methyl]-5-(6-methoxypyrazin-2-yl)pyridine-2-carboxamide is COc1cncc(-c2ccc(C(=O)NCc3cc(NS(=O)(=O)C4CC4)ccn3)nc2)n1.
What is the InChIKey of N-[[4-(cyclopropylsulfonylamino)-2-pyridinyl]methyl]-5-(6-methoxypyrazin-2-yl)pyridine-2-carboxamide?
The InChIKey is QNXNGQCTOYZTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O4S/c1-30-19-12-21-11-18(25-19)13-2-5-17(23-9-13)20(27)24-10-15-8-14(6-7-22-15)26-31(28,29)16-3-4-16/h2,5-9,11-12,16H,3-4,10H2,1H3,(H,22,26)(H,24,27).
What are the key properties of N-[[4-(cyclopropylsulfonylamino)-2-pyridinyl]methyl]-5-(6-methoxypyrazin-2-yl)pyridine-2-carboxamide?
N-[[4-(cyclopropylsulfonylamino)-2-pyridinyl]methyl]-5-(6-methoxypyrazin-2-yl)pyridine-2-carboxamide has a molecular weight of 440.49 g/mol, XLogP of 1.78, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclopropylsulfonylamino)-2-pyridinyl]methyl]-5-(6-methoxypyrazin-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 163271317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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