N-tert-butyl-2-[(5-methyl-2-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C17H20N6O — CID 73295271

IUPACN-tert-butyl-2-[(5-methyl-2-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCc1ccc(Nc2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)nc1
InChIInChI=1S/C17H20N6O/c1-10-5-6-12(18-7-10)21-13-9-20-15-14(22-13)11(8-19-15)16(24)23-17(2,3)4/h5-9H,1-4H3,(H,19,20)(H,23,24)(H,18,21,22)
InChIKeyULTSNMDITVYLTG-UHFFFAOYSA-N
MW324.39 g/mol
LogP2.93
Rot. Bonds3

About N-tert-butyl-2-[(5-methyl-2-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-tert-butyl-2-[(5-methyl-2-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 73295271) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is N-tert-butyl-2-[(5-methyl-2-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(5-methyl-2-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID73295271
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC NameN-tert-butyl-2-[(5-methyl-2-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCc1ccc(Nc2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)nc1
InChIInChI=1S/C17H20N6O/c1-10-5-6-12(18-7-10)21-13-9-20-15-14(22-13)11(8-19-15)16(24)23-17(2,3)4/h5-9H,1-4H3,(H,19,20)(H,23,24)(H,18,21,22)
InChIKeyULTSNMDITVYLTG-UHFFFAOYSA-N
XLogP2.93
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(5-methyl-2-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-tert-butyl-2-[(5-methyl-2-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 73295271) is N-tert-butyl-2-[(5-methyl-2-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-tert-butyl-2-[(5-methyl-2-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-tert-butyl-2-[(5-methyl-2-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is Cc1ccc(Nc2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)nc1.
What is the InChIKey of N-tert-butyl-2-[(5-methyl-2-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is ULTSNMDITVYLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-10-5-6-12(18-7-10)21-13-9-20-15-14(22-13)11(8-19-15)16(24)23-17(2,3)4/h5-9H,1-4H3,(H,19,20)(H,23,24)(H,18,21,22).
What are the key properties of N-tert-butyl-2-[(5-methyl-2-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-tert-butyl-2-[(5-methyl-2-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 324.39 g/mol, XLogP of 2.93, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(5-methyl-2-pyridinyl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 73295271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).