N-butan-2-yl-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-4-carboxamide

C17H23N5O — CID 71839302

IUPACN-butan-2-yl-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(c2cnc3nccnc3c2)CC1
InChIInChI=1S/C17H23N5O/c1-3-12(2)21-17(23)13-4-8-22(9-5-13)14-10-15-16(20-11-14)19-7-6-18-15/h6-7,10-13H,3-5,8-9H2,1-2H3,(H,21,23)
InChIKeyVBOPQFMKZAPVBE-UHFFFAOYSA-N
MW313.41 g/mol
LogP2.16
Rot. Bonds4

About N-butan-2-yl-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-4-carboxamide

N-butan-2-yl-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-4-carboxamide (PubChem CID 71839302) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is N-butan-2-yl-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-4-carboxamide
PubChem CID71839302
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC NameN-butan-2-yl-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(c2cnc3nccnc3c2)CC1
InChIInChI=1S/C17H23N5O/c1-3-12(2)21-17(23)13-4-8-22(9-5-13)14-10-15-16(20-11-14)19-7-6-18-15/h6-7,10-13H,3-5,8-9H2,1-2H3,(H,21,23)
InChIKeyVBOPQFMKZAPVBE-UHFFFAOYSA-N
XLogP2.16
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-4-carboxamide (CID 71839302) is N-butan-2-yl-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-4-carboxamide is CCC(C)NC(=O)C1CCN(c2cnc3nccnc3c2)CC1.
What is the InChIKey of N-butan-2-yl-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-4-carboxamide?
The InChIKey is VBOPQFMKZAPVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-3-12(2)21-17(23)13-4-8-22(9-5-13)14-10-15-16(20-11-14)19-7-6-18-15/h6-7,10-13H,3-5,8-9H2,1-2H3,(H,21,23).
What are the key properties of N-butan-2-yl-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-4-carboxamide?
N-butan-2-yl-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-4-carboxamide has a molecular weight of 313.41 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-4-carboxamide is sourced from PubChem (CID 71839302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).