N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4-[2-(propan-2-ylsulfonylamino)pyrimidin-4-yl]oxane-4-carboxamide

C24H29N7O5S — CID 167289449

IUPACN-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4-[2-(propan-2-ylsulfonylamino)pyrimidin-4-yl]oxane-4-carboxamide
SMILESCCOc1cncc(-c2ccc(NC(=O)C3(c4ccnc(NS(=O)(=O)C(C)C)n4)CCOCC3)nc2)n1
InChIInChI=1S/C24H29N7O5S/c1-4-36-21-15-25-14-18(28-21)17-5-6-20(27-13-17)30-22(32)24(8-11-35-12-9-24)19-7-10-26-23(29-19)31-37(33,34)16(2)3/h5-7,10,13-16H,4,8-9,11-12H2,1-3H3,(H,26,29,31)(H,27,30,32)
InChIKeyNRJIHHDFVKZYOV-UHFFFAOYSA-N
MW527.61 g/mol
LogP2.56
Rot. Bonds9

About N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4-[2-(propan-2-ylsulfonylamino)pyrimidin-4-yl]oxane-4-carboxamide

N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4-[2-(propan-2-ylsulfonylamino)pyrimidin-4-yl]oxane-4-carboxamide (PubChem CID 167289449) has the molecular formula C24H29N7O5S and a molecular weight of 527.61 g/mol. Its IUPAC name is N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4-[2-(propan-2-ylsulfonylamino)pyrimidin-4-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4-[2-(propan-2-ylsulfonylamino)pyrimidin-4-yl]oxane-4-carboxamide
PubChem CID167289449
Molecular FormulaC24H29N7O5S
Molecular Weight527.61 g/mol
Exact Mass527.20
IUPAC NameN-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4-[2-(propan-2-ylsulfonylamino)pyrimidin-4-yl]oxane-4-carboxamide
SMILESCCOc1cncc(-c2ccc(NC(=O)C3(c4ccnc(NS(=O)(=O)C(C)C)n4)CCOCC3)nc2)n1
InChIInChI=1S/C24H29N7O5S/c1-4-36-21-15-25-14-18(28-21)17-5-6-20(27-13-17)30-22(32)24(8-11-35-12-9-24)19-7-10-26-23(29-19)31-37(33,34)16(2)3/h5-7,10,13-16H,4,8-9,11-12H2,1-3H3,(H,26,29,31)(H,27,30,32)
InChIKeyNRJIHHDFVKZYOV-UHFFFAOYSA-N
XLogP2.56
TPSA158.18 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.61
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

N-[4-[4-[1-[[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]amino]ethenyl]oxan-4-yl]pyrimidin-2-yl]ethanesulfonamide
CID 174368352
1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4,4-difluorocyclohexane-1-carboxamide
CID 155379084
4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]thiane-4-carboxamide
CID 155733875
4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-1-methylpiperidine-4-carboxamide
CID 155375706
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
N-[5-(6-cyclopropylpyrazin-2-yl)-2-pyridinyl]-4-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]oxane-4-carboxamide
CID 155368534
tert-butyl 4-[[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]carbamoyl]-4-(2-methylsulfinylpyrimidin-4-yl)piperidine-1-carboxylate
CID 176652542
3-[4-(difluoromethylsulfonylamino)-2-pyridinyl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 177175521
(2R)-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-fluoro-2-[2-(methanesulfonamido)pyrimidin-4-yl]butanamide
CID 152706071
N-[4-(6-ethoxypyrazin-2-yl)phenyl]-3-[6-(propan-2-ylsulfonylamino)pyrimidin-4-yl]bicyclo[3.1.0]hexane-3-carboxamide
CID 177175503
tert-butyl 4-[4-(cyclopropylsulfonylamino)pyrimidin-2-yl]-4-[[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 155375695
4-[2-(cyclopentylsulfonylamino)pyrimidin-4-yl]-3-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]oxane-4-carboxamide
CID 177370838

Frequently Asked Questions

What is the IUPAC name of N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4-[2-(propan-2-ylsulfonylamino)pyrimidin-4-yl]oxane-4-carboxamide?
The IUPAC name of N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4-[2-(propan-2-ylsulfonylamino)pyrimidin-4-yl]oxane-4-carboxamide (CID 167289449) is N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4-[2-(propan-2-ylsulfonylamino)pyrimidin-4-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4-[2-(propan-2-ylsulfonylamino)pyrimidin-4-yl]oxane-4-carboxamide?
The canonical SMILES for N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4-[2-(propan-2-ylsulfonylamino)pyrimidin-4-yl]oxane-4-carboxamide is CCOc1cncc(-c2ccc(NC(=O)C3(c4ccnc(NS(=O)(=O)C(C)C)n4)CCOCC3)nc2)n1.
What is the InChIKey of N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4-[2-(propan-2-ylsulfonylamino)pyrimidin-4-yl]oxane-4-carboxamide?
The InChIKey is NRJIHHDFVKZYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O5S/c1-4-36-21-15-25-14-18(28-21)17-5-6-20(27-13-17)30-22(32)24(8-11-35-12-9-24)19-7-10-26-23(29-19)31-37(33,34)16(2)3/h5-7,10,13-16H,4,8-9,11-12H2,1-3H3,(H,26,29,31)(H,27,30,32).
What are the key properties of N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4-[2-(propan-2-ylsulfonylamino)pyrimidin-4-yl]oxane-4-carboxamide?
N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4-[2-(propan-2-ylsulfonylamino)pyrimidin-4-yl]oxane-4-carboxamide has a molecular weight of 527.61 g/mol, XLogP of 2.56, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4-[2-(propan-2-ylsulfonylamino)pyrimidin-4-yl]oxane-4-carboxamide is sourced from PubChem (CID 167289449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).