5-(azepan-1-yl)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide

C17H21N5O — CID 109283539

IUPAC5-(azepan-1-yl)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
SMILESO=C(NCc1ccncc1)c1cnc(N2CCCCCC2)cn1
InChIInChI=1S/C17H21N5O/c23-17(21-11-14-5-7-18-8-6-14)15-12-20-16(13-19-15)22-9-3-1-2-4-10-22/h5-8,12-13H,1-4,9-11H2,(H,21,23)
InChIKeyLAKRVXGEZRBXFA-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.18
Rot. Bonds4

About 5-(azepan-1-yl)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide

5-(azepan-1-yl)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide (PubChem CID 109283539) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 5-(azepan-1-yl)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(azepan-1-yl)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
PubChem CID109283539
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name5-(azepan-1-yl)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
SMILESO=C(NCc1ccncc1)c1cnc(N2CCCCCC2)cn1
InChIInChI=1S/C17H21N5O/c23-17(21-11-14-5-7-18-8-6-14)15-12-20-16(13-19-15)22-9-3-1-2-4-10-22/h5-8,12-13H,1-4,9-11H2,(H,21,23)
InChIKeyLAKRVXGEZRBXFA-UHFFFAOYSA-N
XLogP2.18
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-piperidin-1-yl-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109112480
N-(pyridin-4-ylmethyl)-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
CID 109283603
N-(pyridin-4-ylmethyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145628
N-(pyridin-4-ylmethyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249408
5-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide
CID 109285779
5-(cyclohexylamino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
CID 109274849
5-(4-ethylpiperazin-1-yl)-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109278578
N-pentyl-5-piperidin-1-ylpyrazine-2-carboxamide
CID 109274518
N-(3-methylbutyl)-5-piperidin-1-ylpyrazine-2-carboxamide
CID 109274517
N-[(4-chlorophenyl)methyl]-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278887
5-(3-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 109283250
N-(2,6-dichlorophenyl)-5-piperidin-1-ylpyrazine-2-carboxamide
CID 109274621

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-yl)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(azepan-1-yl)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide (CID 109283539) is 5-(azepan-1-yl)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(azepan-1-yl)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(azepan-1-yl)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide is O=C(NCc1ccncc1)c1cnc(N2CCCCCC2)cn1.
What is the InChIKey of 5-(azepan-1-yl)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide?
The InChIKey is LAKRVXGEZRBXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c23-17(21-11-14-5-7-18-8-6-14)15-12-20-16(13-19-15)22-9-3-1-2-4-10-22/h5-8,12-13H,1-4,9-11H2,(H,21,23).
What are the key properties of 5-(azepan-1-yl)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide?
5-(azepan-1-yl)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-yl)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109283539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).