N-tert-butyl-2-(pyridin-3-ylamino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C16H18N6O — CID 73295445

IUPACN-tert-butyl-2-(pyridin-3-ylamino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)(C)NC(=O)c1c[nH]c2ncc(Nc3cccnc3)nc12
InChIInChI=1S/C16H18N6O/c1-16(2,3)22-15(23)11-8-18-14-13(11)21-12(9-19-14)20-10-5-4-6-17-7-10/h4-9H,1-3H3,(H,18,19)(H,20,21)(H,22,23)
InChIKeyIPKHDQZNIUVOMW-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.62
Rot. Bonds3

About N-tert-butyl-2-(pyridin-3-ylamino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-tert-butyl-2-(pyridin-3-ylamino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 73295445) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is N-tert-butyl-2-(pyridin-3-ylamino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-(pyridin-3-ylamino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID73295445
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC NameN-tert-butyl-2-(pyridin-3-ylamino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)(C)NC(=O)c1c[nH]c2ncc(Nc3cccnc3)nc12
InChIInChI=1S/C16H18N6O/c1-16(2,3)22-15(23)11-8-18-14-13(11)21-12(9-19-14)20-10-5-4-6-17-7-10/h4-9H,1-3H3,(H,18,19)(H,20,21)(H,22,23)
InChIKeyIPKHDQZNIUVOMW-UHFFFAOYSA-N
XLogP2.62
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.62
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-(pyridin-3-ylamino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-tert-butyl-2-(pyridin-3-ylamino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 73295445) is N-tert-butyl-2-(pyridin-3-ylamino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-tert-butyl-2-(pyridin-3-ylamino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-tert-butyl-2-(pyridin-3-ylamino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)(C)NC(=O)c1c[nH]c2ncc(Nc3cccnc3)nc12.
What is the InChIKey of N-tert-butyl-2-(pyridin-3-ylamino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is IPKHDQZNIUVOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-16(2,3)22-15(23)11-8-18-14-13(11)21-12(9-19-14)20-10-5-4-6-17-7-10/h4-9H,1-3H3,(H,18,19)(H,20,21)(H,22,23).
What are the key properties of N-tert-butyl-2-(pyridin-3-ylamino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-tert-butyl-2-(pyridin-3-ylamino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 2.62, 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-(pyridin-3-ylamino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 73295445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).