2-N-[4-[2-[(2-methylpropan-2-yl)oxy]ethylamino]phenyl]-3-N-(5-methyl-2-pyridinyl)pyrazine-2,3-dicarboxamide

C24H28N6O3 — CID 143235518

IUPAC2-N-[4-[2-[(2-methylpropan-2-yl)oxy]ethylamino]phenyl]-3-N-(5-methyl-2-pyridinyl)pyrazine-2,3-dicarboxamide
SMILESCc1ccc(NC(=O)c2nccnc2C(=O)Nc2ccc(NCCOC(C)(C)C)cc2)nc1
InChIInChI=1S/C24H28N6O3/c1-16-5-10-19(28-15-16)30-23(32)21-20(26-11-12-27-21)22(31)29-18-8-6-17(7-9-18)25-13-14-33-24(2,3)4/h5-12,15,25H,13-14H2,1-4H3,(H,29,31)(H,28,30,32)
InChIKeyGYBOAVCEVKPMEO-UHFFFAOYSA-N
MW448.53 g/mol
LogP3.91
Rot. Bonds8

About 2-N-[4-[2-[(2-methylpropan-2-yl)oxy]ethylamino]phenyl]-3-N-(5-methyl-2-pyridinyl)pyrazine-2,3-dicarboxamide

2-N-[4-[2-[(2-methylpropan-2-yl)oxy]ethylamino]phenyl]-3-N-(5-methyl-2-pyridinyl)pyrazine-2,3-dicarboxamide (PubChem CID 143235518) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is 2-N-[4-[2-[(2-methylpropan-2-yl)oxy]ethylamino]phenyl]-3-N-(5-methyl-2-pyridinyl)pyrazine-2,3-dicarboxamide.

Molecular Properties

Compound Name2-N-[4-[2-[(2-methylpropan-2-yl)oxy]ethylamino]phenyl]-3-N-(5-methyl-2-pyridinyl)pyrazine-2,3-dicarboxamide
PubChem CID143235518
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC Name2-N-[4-[2-[(2-methylpropan-2-yl)oxy]ethylamino]phenyl]-3-N-(5-methyl-2-pyridinyl)pyrazine-2,3-dicarboxamide
SMILESCc1ccc(NC(=O)c2nccnc2C(=O)Nc2ccc(NCCOC(C)(C)C)cc2)nc1
InChIInChI=1S/C24H28N6O3/c1-16-5-10-19(28-15-16)30-23(32)21-20(26-11-12-27-21)22(31)29-18-8-6-17(7-9-18)25-13-14-33-24(2,3)4/h5-12,15,25H,13-14H2,1-4H3,(H,29,31)(H,28,30,32)
InChIKeyGYBOAVCEVKPMEO-UHFFFAOYSA-N
XLogP3.91
TPSA118.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-N-(5-chloro-2-pyridinyl)-2-N-[4-(propylamino)phenyl]pyrazine-2,3-dicarboxamide
CID 59799292
4-(ethylamino)-N-(5-methyl-2-pyridinyl)benzamide
CID 62172642
4-tert-butyl-N-[5-(2-methoxyethylamino)-2-pyridinyl]benzamide
CID 113025045
1-(4-tert-butylphenyl)-3-(5-methyl-2-pyridinyl)urea
CID 108884929
4-methyl-N-[5-(propylamino)-2-pyridinyl]benzamide
CID 113023427
3-methoxy-N-(5-methyl-2-pyridinyl)propanamide
CID 127118084
1-(2-methoxyethyl)-3-(5-methyl-2-pyridinyl)urea
CID 84600557
3-[(6-acetamido-3-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid
CID 2813206
tert-butyl N-[[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate
CID 17476260
3-(3-aminoprop-1-ynyl)-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 107523796
N-(5-methyl-2-pyridinyl)-3,5-bis(trifluoromethyl)benzamide
CID 43016681
N-[5-(2-methoxyethylamino)-2-pyridinyl]pyridine-3-carboxamide
CID 113025065

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-[2-[(2-methylpropan-2-yl)oxy]ethylamino]phenyl]-3-N-(5-methyl-2-pyridinyl)pyrazine-2,3-dicarboxamide?
The IUPAC name of 2-N-[4-[2-[(2-methylpropan-2-yl)oxy]ethylamino]phenyl]-3-N-(5-methyl-2-pyridinyl)pyrazine-2,3-dicarboxamide (CID 143235518) is 2-N-[4-[2-[(2-methylpropan-2-yl)oxy]ethylamino]phenyl]-3-N-(5-methyl-2-pyridinyl)pyrazine-2,3-dicarboxamide.
What is the SMILES notation for 2-N-[4-[2-[(2-methylpropan-2-yl)oxy]ethylamino]phenyl]-3-N-(5-methyl-2-pyridinyl)pyrazine-2,3-dicarboxamide?
The canonical SMILES for 2-N-[4-[2-[(2-methylpropan-2-yl)oxy]ethylamino]phenyl]-3-N-(5-methyl-2-pyridinyl)pyrazine-2,3-dicarboxamide is Cc1ccc(NC(=O)c2nccnc2C(=O)Nc2ccc(NCCOC(C)(C)C)cc2)nc1.
What is the InChIKey of 2-N-[4-[2-[(2-methylpropan-2-yl)oxy]ethylamino]phenyl]-3-N-(5-methyl-2-pyridinyl)pyrazine-2,3-dicarboxamide?
The InChIKey is GYBOAVCEVKPMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-16-5-10-19(28-15-16)30-23(32)21-20(26-11-12-27-21)22(31)29-18-8-6-17(7-9-18)25-13-14-33-24(2,3)4/h5-12,15,25H,13-14H2,1-4H3,(H,29,31)(H,28,30,32).
What are the key properties of 2-N-[4-[2-[(2-methylpropan-2-yl)oxy]ethylamino]phenyl]-3-N-(5-methyl-2-pyridinyl)pyrazine-2,3-dicarboxamide?
2-N-[4-[2-[(2-methylpropan-2-yl)oxy]ethylamino]phenyl]-3-N-(5-methyl-2-pyridinyl)pyrazine-2,3-dicarboxamide has a molecular weight of 448.53 g/mol, XLogP of 3.91, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-[2-[(2-methylpropan-2-yl)oxy]ethylamino]phenyl]-3-N-(5-methyl-2-pyridinyl)pyrazine-2,3-dicarboxamide is sourced from PubChem (CID 143235518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).