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

C16H18N6O — CID 73295274

IUPAC2-[(5-methyl-2-pyridinyl)amino]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCc1ccc(Nc2cnc3[nH]cc(C(=O)NC(C)C)c3n2)nc1
InChIInChI=1S/C16H18N6O/c1-9(2)20-16(23)11-7-18-15-14(11)22-13(8-19-15)21-12-5-4-10(3)6-17-12/h4-9H,1-3H3,(H,18,19)(H,20,23)(H,17,21,22)
InChIKeyROLYQILMGFXZHD-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.54
Rot. Bonds4

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

2-[(5-methyl-2-pyridinyl)amino]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 73295274) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-[(5-methyl-2-pyridinyl)amino]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-[(5-methyl-2-pyridinyl)amino]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID73295274
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name2-[(5-methyl-2-pyridinyl)amino]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCc1ccc(Nc2cnc3[nH]cc(C(=O)NC(C)C)c3n2)nc1
InChIInChI=1S/C16H18N6O/c1-9(2)20-16(23)11-7-18-15-14(11)22-13(8-19-15)21-12-5-4-10(3)6-17-12/h4-9H,1-3H3,(H,18,19)(H,20,23)(H,17,21,22)
InChIKeyROLYQILMGFXZHD-UHFFFAOYSA-N
XLogP2.54
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-2-pyridinyl)amino]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-[(5-methyl-2-pyridinyl)amino]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 73295274) is 2-[(5-methyl-2-pyridinyl)amino]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-[(5-methyl-2-pyridinyl)amino]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-[(5-methyl-2-pyridinyl)amino]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is Cc1ccc(Nc2cnc3[nH]cc(C(=O)NC(C)C)c3n2)nc1.
What is the InChIKey of 2-[(5-methyl-2-pyridinyl)amino]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is ROLYQILMGFXZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-9(2)20-16(23)11-7-18-15-14(11)22-13(8-19-15)21-12-5-4-10(3)6-17-12/h4-9H,1-3H3,(H,18,19)(H,20,23)(H,17,21,22).
What are the key properties of 2-[(5-methyl-2-pyridinyl)amino]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-[(5-methyl-2-pyridinyl)amino]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 2.54, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-2-pyridinyl)amino]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 73295274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).